4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine

C17H34N2 — CID 21297473

IUPAC4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine
SMILESCCC(CC)(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C17H34N2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h13-16H,3-12,18-19H2,1-2H3
InChIKeyFGEJSHYIRKDNLR-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.83
Rot. Bonds4

About 4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine

4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine (PubChem CID 21297473) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine
PubChem CID21297473
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine
SMILESCCC(CC)(C1CCC(N)CC1)C1CCC(N)CC1
InChIInChI=1S/C17H34N2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h13-16H,3-12,18-19H2,1-2H3
InChIKeyFGEJSHYIRKDNLR-UHFFFAOYSA-N
XLogP3.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-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-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine?
The IUPAC name of 4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine (CID 21297473) is 4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine is CCC(CC)(C1CCC(N)CC1)C1CCC(N)CC1.
What is the InChIKey of 4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine?
The InChIKey is FGEJSHYIRKDNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h13-16H,3-12,18-19H2,1-2H3.
What are the key properties of 4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine?
4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-aminocyclohexyl)pentan-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 21297473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).