(7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine

C14H28N2 — CID 90184398

IUPAC(7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine
SMILESC/C=C\CC(C)/C=C(/N)CCC(N)CCC
InChIInChI=1S/C14H28N2/c1-4-6-8-12(3)11-14(16)10-9-13(15)7-5-2/h4,6,11-13H,5,7-10,15-16H2,1-3H3/b6-4-,14-11+
InChIKeyKCXVUAVWHPYMOY-QNQUXMIPSA-N
MW224.39 g/mol
LogP3.34
Rot. Bonds8

About (7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine

(7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine (PubChem CID 90184398) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine.

Molecular Properties

Compound Name(7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine
PubChem CID90184398
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine
SMILESC/C=C\CC(C)/C=C(/N)CCC(N)CCC
InChIInChI=1S/C14H28N2/c1-4-6-8-12(3)11-14(16)10-9-13(15)7-5-2/h4,6,11-13H,5,7-10,15-16H2,1-3H3/b6-4-,14-11+
InChIKeyKCXVUAVWHPYMOY-QNQUXMIPSA-N
XLogP3.34
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine 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 (7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine?
The IUPAC name of (7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine (CID 90184398) is (7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine.
What is the SMILES notation for (7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine?
The canonical SMILES for (7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine is C/C=C\CC(C)/C=C(/N)CCC(N)CCC.
What is the InChIKey of (7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine?
The InChIKey is KCXVUAVWHPYMOY-QNQUXMIPSA-N. The full InChI is InChI=1S/C14H28N2/c1-4-6-8-12(3)11-14(16)10-9-13(15)7-5-2/h4,6,11-13H,5,7-10,15-16H2,1-3H3/b6-4-,14-11+.
What are the key properties of (7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine?
(7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine has a molecular weight of 224.39 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11Z)-9-methyltrideca-7,11-diene-4,7-diamine is sourced from PubChem (CID 90184398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).