5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine

C24H43N — CID 57047712

IUPAC5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine
SMILESCC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)CCCCN
InChIInChI=1S/C24H43N/c1-20(2)11-9-13-22(5)16-17-24(15-7-8-18-25)19-23(6)14-10-12-21(3)4/h11-12,16,19,24H,7-10,13-15,17-18,25H2,1-6H3
InChIKeyVCEAIVFCQLBXMD-UHFFFAOYSA-N
MW345.62 g/mol
LogP7.51
Rot. Bonds13

About 5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine

5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine (PubChem CID 57047712) has the molecular formula C24H43N and a molecular weight of 345.62 g/mol. Its IUPAC name is 5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine.

Molecular Properties

Compound Name5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine
PubChem CID57047712
Molecular FormulaC24H43N
Molecular Weight345.62 g/mol
Exact Mass345.34
IUPAC Name5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine
SMILESCC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)CCCCN
InChIInChI=1S/C24H43N/c1-20(2)11-9-13-22(5)16-17-24(15-7-8-18-25)19-23(6)14-10-12-21(3)4/h11-12,16,19,24H,7-10,13-15,17-18,25H2,1-6H3
InChIKeyVCEAIVFCQLBXMD-UHFFFAOYSA-N
XLogP7.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.62
LogP ≤ 57.51
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 5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine?
The IUPAC name of 5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine (CID 57047712) is 5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine.
What is the SMILES notation for 5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine?
The canonical SMILES for 5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine is CC(C)=CCCC(C)=CCC(C=C(C)CCC=C(C)C)CCCCN.
What is the InChIKey of 5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine?
The InChIKey is VCEAIVFCQLBXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N/c1-20(2)11-9-13-22(5)16-17-24(15-7-8-18-25)19-23(6)14-10-12-21(3)4/h11-12,16,19,24H,7-10,13-15,17-18,25H2,1-6H3.
What are the key properties of 5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine?
5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine has a molecular weight of 345.62 g/mol, XLogP of 7.51, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylhepta-1,5-dienyl)-8,12-dimethyltrideca-7,11-dien-1-amine is sourced from PubChem (CID 57047712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).