N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine

C16H31N — CID 64745242

IUPACN-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C)(C)CC2)CC1C
InChIInChI=1S/C16H31N/c1-12-5-6-15(11-13(12)2)17-14-7-9-16(3,4)10-8-14/h12-15,17H,5-11H2,1-4H3
InChIKeyGVWJFKAVZRYJNX-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.37
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine

N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine (PubChem CID 64745242) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
PubChem CID64745242
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC2CCC(C)(C)CC2)CC1C
InChIInChI=1S/C16H31N/c1-12-5-6-15(11-13(12)2)17-14-7-9-16(3,4)10-8-14/h12-15,17H,5-11H2,1-4H3
InChIKeyGVWJFKAVZRYJNX-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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

Analyze N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylcyclohexyl)cyclooctanamine
CID 64733155
N-(3,4-dimethylcyclohexyl)oxan-4-amine
CID 64732595
N-(4-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64747002
[4-[(3,4-dimethylcyclohexyl)amino]cyclohexyl]methanol
CID 112753327
ethyl (1R,2R,4S)-4-[(4,4-dimethylcyclohexyl)amino]-2-methylcyclohexane-1-carboxylate
CID 124841100
N-(3,4-dimethylcyclohexyl)-1-methylazetidin-3-amine
CID 130815534
N-(3,4-dimethylcyclohexyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091389
N-(3-ethylcyclopentyl)-3,4-dimethylcyclohexan-1-amine
CID 64740887
N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine
CID 102951968
N-(4,4-dimethylcyclohexyl)-1,5-dimethylpyrrolidin-3-amine
CID 81335868
3,4-dimethyl-N-(2-methylcyclohexyl)cyclohexan-1-amine
CID 64731982
4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol
CID 80693267

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine (CID 64745242) is N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine is CC1CCC(NC2CCC(C)(C)CC2)CC1C.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine?
The InChIKey is GVWJFKAVZRYJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12-5-6-15(11-13(12)2)17-14-7-9-16(3,4)10-8-14/h12-15,17H,5-11H2,1-4H3.
What are the key properties of N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine?
N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64745242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).