Leelamine HCl

CAT: 0024-sc-200375Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-200375Size:10 mg

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CAS Number

1446-61-3

Chemical Information

Dehydroabietylamine

[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine is a diterpenoid.

CAS Number	1446-61-3
PubChem CID	62034
IUPAC Name	[(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine
Molecular Formula	C20H31N
Molecular Weight	285.5
XLogP	5.4
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	376

SMILES

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)CN)C

InChI

InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1

InChIKey

JVVXZOOGOGPDRZ-SLFFLAALSA-N

Chemical Structure

2D Structure

CAS: 1446-61-3

CID: 62034

Formula: C20H31N

MW: 285.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.5
XLogP3	5.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	285.245649993
Monoisotopic Mass	285.245649993
Topological Polar Surface Area	26 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	376
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes