3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine

C20H37N — CID 86063190

IUPAC3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine
SMILESCCCCCCCCCC1(N)CC=C(CCC=C(C)C)C1
InChIInChI=1S/C20H37N/c1-4-5-6-7-8-9-10-15-20(21)16-14-19(17-20)13-11-12-18(2)3/h12,14H,4-11,13,15-17,21H2,1-3H3
InChIKeyHCSNYZFFFLXXSU-UHFFFAOYSA-N
MW291.52 g/mol
LogP6.29
Rot. Bonds11

About 3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine

3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine (PubChem CID 86063190) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is 3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine.

Molecular Properties

Compound Name3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine
PubChem CID86063190
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine
SMILESCCCCCCCCCC1(N)CC=C(CCC=C(C)C)C1
InChIInChI=1S/C20H37N/c1-4-5-6-7-8-9-10-15-20(21)16-14-19(17-20)13-11-12-18(2)3/h12,14H,4-11,13,15-17,21H2,1-3H3
InChIKeyHCSNYZFFFLXXSU-UHFFFAOYSA-N
XLogP6.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4-methylpent-3-enyl)-1-nonylcyclopent-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 3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine?
The IUPAC name of 3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine (CID 86063190) is 3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine.
What is the SMILES notation for 3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine?
The canonical SMILES for 3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine is CCCCCCCCCC1(N)CC=C(CCC=C(C)C)C1.
What is the InChIKey of 3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine?
The InChIKey is HCSNYZFFFLXXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N/c1-4-5-6-7-8-9-10-15-20(21)16-14-19(17-20)13-11-12-18(2)3/h12,14H,4-11,13,15-17,21H2,1-3H3.
What are the key properties of 3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine?
3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine has a molecular weight of 291.52 g/mol, XLogP of 6.29, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpent-3-enyl)-1-nonylcyclopent-3-en-1-amine is sourced from PubChem (CID 86063190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).