4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine

C21H37N — CID 123906793

IUPAC4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine
SMILESC=CC(C(=C)CCC(C)C)=C(CCNCC)CC(C)=CCC
InChIInChI=1S/C21H37N/c1-8-11-18(6)16-20(14-15-22-10-3)21(9-2)19(7)13-12-17(4)5/h9,11,17,22H,2,7-8,10,12-16H2,1,3-6H3
InChIKeyMQVTUJDTAJCVHG-UHFFFAOYSA-N
MW303.53 g/mol
LogP6.21
Rot. Bonds12

About 4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine

4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine (PubChem CID 123906793) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is 4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine.

Molecular Properties

Compound Name4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine
PubChem CID123906793
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC Name4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine
SMILESC=CC(C(=C)CCC(C)C)=C(CCNCC)CC(C)=CCC
InChIInChI=1S/C21H37N/c1-8-11-18(6)16-20(14-15-22-10-3)21(9-2)19(7)13-12-17(4)5/h9,11,17,22H,2,7-8,10,12-16H2,1,3-6H3
InChIKeyMQVTUJDTAJCVHG-UHFFFAOYSA-N
XLogP6.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 56.21
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-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-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine?
The IUPAC name of 4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine (CID 123906793) is 4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine.
What is the SMILES notation for 4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine?
The canonical SMILES for 4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine is C=CC(C(=C)CCC(C)C)=C(CCNCC)CC(C)=CCC.
What is the InChIKey of 4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine?
The InChIKey is MQVTUJDTAJCVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-8-11-18(6)16-20(14-15-22-10-3)21(9-2)19(7)13-12-17(4)5/h9,11,17,22H,2,7-8,10,12-16H2,1,3-6H3.
What are the key properties of 4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine?
4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine has a molecular weight of 303.53 g/mol, XLogP of 6.21, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-ethyl-8-methyl-5-methylidene-3-(2-methylpent-2-enyl)non-3-en-1-amine is sourced from PubChem (CID 123906793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).