4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine

C21H43N — CID 129077200

IUPAC4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine
SMILESC=CC(CC(C)CCCCC(C)CCCC)CC(C)NCC
InChIInChI=1S/C21H43N/c1-7-10-13-18(4)14-11-12-15-19(5)16-21(8-2)17-20(6)22-9-3/h8,18-22H,2,7,9-17H2,1,3-6H3
InChIKeyAHNJMENWWXXXLU-UHFFFAOYSA-N
MW309.58 g/mol
LogP6.59
Rot. Bonds15

About 4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine

4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine (PubChem CID 129077200) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is 4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine.

Molecular Properties

Compound Name4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine
PubChem CID129077200
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC Name4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine
SMILESC=CC(CC(C)CCCCC(C)CCCC)CC(C)NCC
InChIInChI=1S/C21H43N/c1-7-10-13-18(4)14-11-12-15-19(5)16-21(8-2)17-20(6)22-9-3/h8,18-22H,2,7,9-17H2,1,3-6H3
InChIKeyAHNJMENWWXXXLU-UHFFFAOYSA-N
XLogP6.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.59
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 4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-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-6,11-dimethylpentadecan-2-amine?
The IUPAC name of 4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine (CID 129077200) is 4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine.
What is the SMILES notation for 4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine?
The canonical SMILES for 4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine is C=CC(CC(C)CCCCC(C)CCCC)CC(C)NCC.
What is the InChIKey of 4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine?
The InChIKey is AHNJMENWWXXXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N/c1-7-10-13-18(4)14-11-12-15-19(5)16-21(8-2)17-20(6)22-9-3/h8,18-22H,2,7,9-17H2,1,3-6H3.
What are the key properties of 4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine?
4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine has a molecular weight of 309.58 g/mol, XLogP of 6.59, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-ethyl-6,11-dimethylpentadecan-2-amine is sourced from PubChem (CID 129077200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).