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4-tert-Butyl-N-methylcyclohexan-1-amine

CAT: 0926-GBA86539-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-GBA86539-01Size:100 mg
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CAS Number
31865-39-1
MDL Number
MFCD09044575
Smiles
CC (C) (C) C1CCC (CC1) NC
Molecular Formula
C11H23N
Molecular Weight
169.31 g/mol
Controlled
No

Chemical Information

4-tert-butyl-N-methylcyclohexan-1-amine
CAS Number31865-39-1
PubChem CID15921596
IUPAC Name4-tert-butyl-N-methylcyclohexan-1-amine
Molecular FormulaC11H23N
Molecular Weight169.31
XLogP3.3
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity126
SMILES
CC(C)(C)C1CCC(CC1)NC
InChI
InChI=1S/C11H23N/c1-11(2,3)9-5-7-10(12-4)8-6-9/h9-10,12H,5-8H2,1-4H3
InChIKey
INGRKTXZUZXXPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-tert-butyl-N-methylcyclohexan-1-amine
CAS: 31865-39-1
CID: 15921596
Formula: C11H23N
MW: 169.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight169.31
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass169.183049738
Monoisotopic Mass169.183049738
Topological Polar Surface Area12 Ų
Heavy Atom Count12
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes