1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine

C18H38N2 — CID 126626496

IUPAC1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine
SMILESC/C=C\CCCCCCCCCCC(C)CNC(C)N
InChIInChI=1S/C18H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-20-18(3)19/h4-5,17-18,20H,6-16,19H2,1-3H3/b5-4-
InChIKeyUYMUBKKBLSJPLI-PLNGDYQASA-N
MW282.52 g/mol
LogP4.99
Rot. Bonds14

About 1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine

1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine (PubChem CID 126626496) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is 1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine
PubChem CID126626496
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Name1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine
SMILESC/C=C\CCCCCCCCCCC(C)CNC(C)N
InChIInChI=1S/C18H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-20-18(3)19/h4-5,17-18,20H,6-16,19H2,1-3H3/b5-4-
InChIKeyUYMUBKKBLSJPLI-PLNGDYQASA-N
XLogP4.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-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 1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine (CID 126626496) is 1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine is C/C=C\CCCCCCCCCCC(C)CNC(C)N.
What is the InChIKey of 1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine?
The InChIKey is UYMUBKKBLSJPLI-PLNGDYQASA-N. The full InChI is InChI=1S/C18H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(2)16-20-18(3)19/h4-5,17-18,20H,6-16,19H2,1-3H3/b5-4-.
What are the key properties of 1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine?
1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.99, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(Z)-2-methylpentadec-13-enyl]ethane-1,1-diamine is sourced from PubChem (CID 126626496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).