4-cyclohexylpent-3-en-1-amine

C11H21N — CID 76996947

IUPAC4-cyclohexylpent-3-en-1-amine
SMILESCC(=CCCN)C1CCCCC1
InChIInChI=1S/C11H21N/c1-10(6-5-9-12)11-7-3-2-4-8-11/h6,11H,2-5,7-9,12H2,1H3
InChIKeyDICFBZOIMAMKPR-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.86
Rot. Bonds3

About 4-cyclohexylpent-3-en-1-amine

4-cyclohexylpent-3-en-1-amine (PubChem CID 76996947) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 4-cyclohexylpent-3-en-1-amine.

Molecular Properties

Compound Name4-cyclohexylpent-3-en-1-amine
PubChem CID76996947
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name4-cyclohexylpent-3-en-1-amine
SMILESCC(=CCCN)C1CCCCC1
InChIInChI=1S/C11H21N/c1-10(6-5-9-12)11-7-3-2-4-8-11/h6,11H,2-5,7-9,12H2,1H3
InChIKeyDICFBZOIMAMKPR-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-cyclohexylpent-3-en-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-cyclohexylpent-3-en-1-amine?
The IUPAC name of 4-cyclohexylpent-3-en-1-amine (CID 76996947) is 4-cyclohexylpent-3-en-1-amine.
What is the SMILES notation for 4-cyclohexylpent-3-en-1-amine?
The canonical SMILES for 4-cyclohexylpent-3-en-1-amine is CC(=CCCN)C1CCCCC1.
What is the InChIKey of 4-cyclohexylpent-3-en-1-amine?
The InChIKey is DICFBZOIMAMKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-10(6-5-9-12)11-7-3-2-4-8-11/h6,11H,2-5,7-9,12H2,1H3.
What are the key properties of 4-cyclohexylpent-3-en-1-amine?
4-cyclohexylpent-3-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylpent-3-en-1-amine is sourced from PubChem (CID 76996947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).