2,2-Dimethyloctan-3-amine

CAT: 0926-ZTB68324-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-ZTB68324-01Size:100 mg

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CAS Number

1099683-24-5

MDL Number

MFCD11655425

Smiles

CCCCCC (C (C) (C) C) N

Molecular Formula

C10H23N

Molecular Weight

157.3 g/mol

Controlled

Chemical Information

2,2-Dimethyloctan-3-amine

CAS Number	1099683-24-5
PubChem CID	43370476
IUPAC Name	2,2-dimethyloctan-3-amine
Molecular Formula	C10H23N
Molecular Weight	157.30
XLogP	3.4
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	11
Formal Charge	0
Complexity	91

SMILES

CCCCCC(C(C)(C)C)N

InChI

InChI=1S/C10H23N/c1-5-6-7-8-9(11)10(2,3)4/h9H,5-8,11H2,1-4H3

InChIKey

ULCUGADHARAVOX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1099683-24-5

CID: 43370476

Formula: C10H23N

MW: 157.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.30
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	157.183049738
Monoisotopic Mass	157.183049738
Topological Polar Surface Area	26 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	91.5
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FAA34064-01	2,2-Dimethyloctan-3-one
EBA77269-01	2,3-Dimethylbutan-2-amine hydrochloride
XPD10412-01	2,2-Dimethyloxan-3-amine hydrochloride
DQD64083-01	3-Fluoro-2,3-dimethylbutan-2-amine hydrochloride
PDA58512-01	2,3-Dimethylbutan-1-amine hydrochloride
AAC00912-01	1-Cyclohexyl-3,3-dimethylbutan-2-amine
GPA51860-01	Benzyl (3,3-dimethylbutan-2-yl) amine
AAC14383-01	2-Methoxy-3,3-dimethylbutan-1-amine
GBA51954-01	(2R) -3,3-Dimethylbutan-2-amine HCl
QDC43342-01	1-Methanesulfinyl-3,3-dimethylbutan-2-amine