[(1S)-2,2-dimethylcyclohexyl]methanamine

C9H19N — CID 90019536

IUPAC[(1S)-2,2-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCCC[C@@H]1CN
InChIInChI=1S/C9H19N/c1-9(2)6-4-3-5-8(9)7-10/h8H,3-7,10H2,1-2H3/t8-/m1/s1
InChIKeyYMFOFTIBSUHGNX-MRVPVSSYSA-N
MW141.26 g/mol
LogP2.16
Rot. Bonds1

About [(1S)-2,2-dimethylcyclohexyl]methanamine

[(1S)-2,2-dimethylcyclohexyl]methanamine (PubChem CID 90019536) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is [(1S)-2,2-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[(1S)-2,2-dimethylcyclohexyl]methanamine
PubChem CID90019536
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name[(1S)-2,2-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCCC[C@@H]1CN
InChIInChI=1S/C9H19N/c1-9(2)6-4-3-5-8(9)7-10/h8H,3-7,10H2,1-2H3/t8-/m1/s1
InChIKeyYMFOFTIBSUHGNX-MRVPVSSYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethylcyclohexyl)methanamine
CID 22484483
(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
CID 155887959
2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane
CID 19857490
2-(2,2-dimethylcycloheptyl)ethanethiol
CID 123225724
1-(2,2-dimethylcycloheptyl)-N-methylmethanamine
CID 83905807
(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
N'-[(2,2-dimethylcyclopentyl)methyl]ethane-1,2-diamine
CID 107178361
tris(2-(2,2-dimethylcyclohexyl)acetate);indium(3+)
CID 22604702
[(2R)-spiro[2.4]heptan-2-yl]methanamine
CID 94557824
1,1,2-trimethylcycloundecane
CID 544748
(5,5-dimethylcyclononyl)methanamine
CID 129138997

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-dimethylcyclohexyl]methanamine?
The IUPAC name of [(1S)-2,2-dimethylcyclohexyl]methanamine (CID 90019536) is [(1S)-2,2-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [(1S)-2,2-dimethylcyclohexyl]methanamine?
The canonical SMILES for [(1S)-2,2-dimethylcyclohexyl]methanamine is CC1(C)CCCC[C@@H]1CN.
What is the InChIKey of [(1S)-2,2-dimethylcyclohexyl]methanamine?
The InChIKey is YMFOFTIBSUHGNX-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2)6-4-3-5-8(9)7-10/h8H,3-7,10H2,1-2H3/t8-/m1/s1.
What are the key properties of [(1S)-2,2-dimethylcyclohexyl]methanamine?
[(1S)-2,2-dimethylcyclohexyl]methanamine has a molecular weight of 141.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 90019536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).