4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine

C14H28N2 — CID 3021716

IUPAC4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CC(CC2CCC(N)CC2)CCC1N
InChIInChI=1S/C14H28N2/c1-10-8-12(4-7-14(10)16)9-11-2-5-13(15)6-3-11/h10-14H,2-9,15-16H2,1H3
InChIKeyCBFPZYGJWADJNC-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds2

About 4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine

4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 3021716) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine
PubChem CID3021716
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CC(CC2CCC(N)CC2)CCC1N
InChIInChI=1S/C14H28N2/c1-10-8-12(4-7-14(10)16)9-11-2-5-13(15)6-3-11/h10-14H,2-9,15-16H2,1H3
InChIKeyCBFPZYGJWADJNC-UHFFFAOYSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of 4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine (CID 3021716) is 4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for 4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine is CC1CC(CC2CCC(N)CC2)CCC1N.
What is the InChIKey of 4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is CBFPZYGJWADJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-10-8-12(4-7-14(10)16)9-11-2-5-13(15)6-3-11/h10-14H,2-9,15-16H2,1H3.
What are the key properties of 4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine?
4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminocyclohexyl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 3021716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).