(12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine

C21H43N3 — CID 122692131

IUPAC(12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine
SMILESC=C/C(=C\C(N)CCC(CC)C(CC)C(N)CC(N)CCC)CC
InChIInChI=1S/C21H43N3/c1-6-11-18(22)15-21(24)20(10-5)17(9-4)12-13-19(23)14-16(7-2)8-3/h7,14,17-21H,2,6,8-13,15,22-24H2,1,3-5H3/b16-14+
InChIKeyIZHSTJQOSNCUNJ-JQIJEIRASA-N
MW337.60 g/mol
LogP4.51
Rot. Bonds14

About (12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine

(12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine (PubChem CID 122692131) has the molecular formula C21H43N3 and a molecular weight of 337.60 g/mol. Its IUPAC name is (12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine.

Molecular Properties

Compound Name(12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine
PubChem CID122692131
Molecular FormulaC21H43N3
Molecular Weight337.60 g/mol
Exact Mass337.35
IUPAC Name(12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine
SMILESC=C/C(=C\C(N)CCC(CC)C(CC)C(N)CC(N)CCC)CC
InChIInChI=1S/C21H43N3/c1-6-11-18(22)15-21(24)20(10-5)17(9-4)12-13-19(23)14-16(7-2)8-3/h7,14,17-21H,2,6,8-13,15,22-24H2,1,3-5H3/b16-14+
InChIKeyIZHSTJQOSNCUNJ-JQIJEIRASA-N
XLogP4.51
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine 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 (12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine?
The IUPAC name of (12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine (CID 122692131) is (12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine.
What is the SMILES notation for (12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine?
The canonical SMILES for (12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine is C=C/C(=C\C(N)CCC(CC)C(CC)C(N)CC(N)CCC)CC.
What is the InChIKey of (12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine?
The InChIKey is IZHSTJQOSNCUNJ-JQIJEIRASA-N. The full InChI is InChI=1S/C21H43N3/c1-6-11-18(22)15-21(24)20(10-5)17(9-4)12-13-19(23)14-16(7-2)8-3/h7,14,17-21H,2,6,8-13,15,22-24H2,1,3-5H3/b16-14+.
What are the key properties of (12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine?
(12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine has a molecular weight of 337.60 g/mol, XLogP of 4.51, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z)-7,8,13-triethylpentadeca-12,14-diene-4,6,11-triamine is sourced from PubChem (CID 122692131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).