6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine

C20H35N — CID 90033165

IUPAC6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine
SMILESC=CCC(C)C(C(C=C)CCCCC)N(CC=C)CC=C
InChIInChI=1S/C20H35N/c1-7-12-13-15-19(11-5)20(18(6)14-8-2)21(16-9-3)17-10-4/h8-11,18-20H,2-5,7,12-17H2,1,6H3
InChIKeyOFKPAXJQYAJVSS-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.62
Rot. Bonds14

About 6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine

6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine (PubChem CID 90033165) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine.

Molecular Properties

Compound Name6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine
PubChem CID90033165
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine
SMILESC=CCC(C)C(C(C=C)CCCCC)N(CC=C)CC=C
InChIInChI=1S/C20H35N/c1-7-12-13-15-19(11-5)20(18(6)14-8-2)21(16-9-3)17-10-4/h8-11,18-20H,2-5,7,12-17H2,1,6H3
InChIKeyOFKPAXJQYAJVSS-UHFFFAOYSA-N
XLogP5.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.62
H-Bond Donors ≤ 50
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 6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-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 6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine?
The IUPAC name of 6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine (CID 90033165) is 6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine.
What is the SMILES notation for 6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine?
The canonical SMILES for 6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine is C=CCC(C)C(C(C=C)CCCCC)N(CC=C)CC=C.
What is the InChIKey of 6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine?
The InChIKey is OFKPAXJQYAJVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-7-12-13-15-19(11-5)20(18(6)14-8-2)21(16-9-3)17-10-4/h8-11,18-20H,2-5,7,12-17H2,1,6H3.
What are the key properties of 6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine?
6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine has a molecular weight of 289.51 g/mol, XLogP of 5.62, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-4-methyl-N,N-bis(prop-2-enyl)undec-1-en-5-amine is sourced from PubChem (CID 90033165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).