N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine

C16H31N — CID 43765373

IUPACN-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NC(C)C2CCCCC2)C1C
InChIInChI=1S/C16H31N/c1-12-8-7-11-16(13(12)2)17-14(3)15-9-5-4-6-10-15/h12-17H,4-11H2,1-3H3
InChIKeyFQNCXYZNEOAAGK-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds3

About N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine

N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 43765373) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID43765373
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(NC(C)C2CCCCC2)C1C
InChIInChI=1S/C16H31N/c1-12-8-7-11-16(13(12)2)17-14(3)15-9-5-4-6-10-15/h12-17H,4-11H2,1-3H3
InChIKeyFQNCXYZNEOAAGK-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-2-methylcyclopentan-1-amine
CID 81387266
N-[(1S)-1-cycloheptylethyl]-2-methylcyclopentan-1-amine
CID 81391283
N-(1-cyclopentylethyl)-2-methylcyclopentan-1-amine
CID 63277954
N-[(1R)-1-cyclohexylethyl]-2-methylcyclohexan-1-amine
CID 81384477
N-(1-cyclopentylethyl)-2-methylcyclohexan-1-amine
CID 62631533
N-[(1R)-1-cyclobutylethyl]-2-methylcyclopentan-1-amine
CID 130671622
N-[(1S)-1-cyclobutylethyl]-2-methylcyclobutan-1-amine
CID 130662747
trans-(1S,2S)-2-[[(1R)-1-cyclopentylethyl]amino]cyclopentan-1-ol
CID 102733833
2-[[(1R)-1-cyclopentylethyl]amino]cycloheptan-1-ol
CID 81395053
2-[[(1R)-1-cycloheptylethyl]amino]cycloheptan-1-ol
CID 81392910
N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine
CID 81385364
(1R,2R,3S)-N-[(2S)-butan-2-yl]-2,3-dimethylcyclohexan-1-amine
CID 124710315

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine (CID 43765373) is N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine is CC1CCCC(NC(C)C2CCCCC2)C1C.
What is the InChIKey of N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is FQNCXYZNEOAAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12-8-7-11-16(13(12)2)17-14(3)15-9-5-4-6-10-15/h12-17H,4-11H2,1-3H3.
What are the key properties of N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine?
N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 43765373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).