(7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine

C20H38N2 — CID 88922494

IUPAC(7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine
SMILESC/C=C/CC/C=C/CC/C=C(\C)C(C)(C)C(N)CCCCN
InChIInChI=1S/C20H38N2/c1-5-6-7-8-9-10-11-12-15-18(2)20(3,4)19(22)16-13-14-17-21/h5-6,9-10,15,19H,7-8,11-14,16-17,21-22H2,1-4H3/b6-5+,10-9+,18-15+
InChIKeyXZIUSLRCIDHGOP-JLVKLCHISA-N
MW306.54 g/mol
LogP5.11
Rot. Bonds12

About (7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine

(7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine (PubChem CID 88922494) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is (7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine.

Molecular Properties

Compound Name(7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine
PubChem CID88922494
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name(7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine
SMILESC/C=C/CC/C=C/CC/C=C(\C)C(C)(C)C(N)CCCCN
InChIInChI=1S/C20H38N2/c1-5-6-7-8-9-10-11-12-15-18(2)20(3,4)19(22)16-13-14-17-21/h5-6,9-10,15,19H,7-8,11-14,16-17,21-22H2,1-4H3/b6-5+,10-9+,18-15+
InChIKeyXZIUSLRCIDHGOP-JLVKLCHISA-N
XLogP5.11
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-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,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine?
The IUPAC name of (7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine (CID 88922494) is (7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine.
What is the SMILES notation for (7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine?
The canonical SMILES for (7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine is C/C=C/CC/C=C/CC/C=C(\C)C(C)(C)C(N)CCCCN.
What is the InChIKey of (7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine?
The InChIKey is XZIUSLRCIDHGOP-JLVKLCHISA-N. The full InChI is InChI=1S/C20H38N2/c1-5-6-7-8-9-10-11-12-15-18(2)20(3,4)19(22)16-13-14-17-21/h5-6,9-10,15,19H,7-8,11-14,16-17,21-22H2,1-4H3/b6-5+,10-9+,18-15+.
What are the key properties of (7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine?
(7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine has a molecular weight of 306.54 g/mol, XLogP of 5.11, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,11E,15E)-6,6,7-trimethylheptadeca-7,11,15-triene-1,5-diamine is sourced from PubChem (CID 88922494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).