3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine

C16H31N — CID 64745632

IUPAC3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCC1CCC(CNC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C16H31N/c1-12-4-7-15(8-5-12)11-17-16-9-6-13(2)14(3)10-16/h12-17H,4-11H2,1-3H3
InChIKeyFHBCULILFDCYQM-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.23
Rot. Bonds3

About 3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine

3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine (PubChem CID 64745632) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
PubChem CID64745632
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine
SMILESCC1CCC(CNC2CCC(C)C(C)C2)CC1
InChIInChI=1S/C16H31N/c1-12-4-7-15(8-5-12)11-17-16-9-6-13(2)14(3)10-16/h12-17H,4-11H2,1-3H3
InChIKeyFHBCULILFDCYQM-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
N-[(1-ethylpiperidin-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64746015
trans-(1R,2R)-2-methyl-N-[(4-methylcyclohexyl)methyl]cyclopropan-1-amine
CID 130624100
N-[(4-methylcyclohexyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63462599
3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 64747200
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
(1S,3S,4S)-N-(2-methoxyethyl)-3,4-dimethylcyclohexan-1-amine
CID 96732311
N-(azetidin-3-ylmethyl)-3-methylcyclopentan-1-amine
CID 114547373
4-[[(4-methylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79532071
trans-(1S,3S)-N-[(4,4-difluorocyclohexyl)methyl]-3-methylcyclopentan-1-amine
CID 169215553
3,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]cyclohexan-1-amine
CID 64746013
N-[(4-methylcyclohexyl)methyl]thiolan-3-amine
CID 63242851

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
The IUPAC name of 3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine (CID 64745632) is 3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine is CC1CCC(CNC2CCC(C)C(C)C2)CC1.
What is the InChIKey of 3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
The InChIKey is FHBCULILFDCYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12-4-7-15(8-5-12)11-17-16-9-6-13(2)14(3)10-16/h12-17H,4-11H2,1-3H3.
What are the key properties of 3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine?
3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(4-methylcyclohexyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 64745632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).