1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine

C15H30N2 — CID 54557959

IUPAC1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(N)(CC2(N)CCCCC2)C1
InChIInChI=1S/C15H30N2/c1-2-13-7-6-10-15(17,11-13)12-14(16)8-4-3-5-9-14/h13H,2-12,16-17H2,1H3
InChIKeyZOMNFDCEUWTEKU-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.34
Rot. Bonds3

About 1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine

1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine (PubChem CID 54557959) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine
PubChem CID54557959
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine
SMILESCCC1CCCC(N)(CC2(N)CCCCC2)C1
InChIInChI=1S/C15H30N2/c1-2-13-7-6-10-15(17,11-13)12-14(16)8-4-3-5-9-14/h13H,2-12,16-17H2,1H3
InChIKeyZOMNFDCEUWTEKU-UHFFFAOYSA-N
XLogP3.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-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 1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine?
The IUPAC name of 1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine (CID 54557959) is 1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine is CCC1CCCC(N)(CC2(N)CCCCC2)C1.
What is the InChIKey of 1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine?
The InChIKey is ZOMNFDCEUWTEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-2-13-7-6-10-15(17,11-13)12-14(16)8-4-3-5-9-14/h13H,2-12,16-17H2,1H3.
What are the key properties of 1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine?
1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminocyclohexyl)methyl]-3-ethylcyclohexan-1-amine is sourced from PubChem (CID 54557959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).