N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine

C20H38N2 — CID 177489737

IUPACN-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine
SMILESCCCCCC/C=C/CCC/C=C\CCCC/C=N/N(C)C
InChIInChI=1S/C20H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h9-10,14-15,20H,4-8,11-13,16-19H2,1-3H3/b10-9+,15-14-,21-20+
InChIKeyAISGYALRPRGZHR-MCJQPXFESA-N
MW306.54 g/mol
LogP6.35
Rot. Bonds15

About N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine

N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine (PubChem CID 177489737) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine
PubChem CID177489737
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC NameN-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine
SMILESCCCCCC/C=C/CCC/C=C\CCCC/C=N/N(C)C
InChIInChI=1S/C20H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h9-10,14-15,20H,4-8,11-13,16-19H2,1-3H3/b10-9+,15-14-,21-20+
InChIKeyAISGYALRPRGZHR-MCJQPXFESA-N
XLogP6.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine 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 N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine (CID 177489737) is N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine is CCCCCC/C=C/CCC/C=C\CCCC/C=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine?
The InChIKey is AISGYALRPRGZHR-MCJQPXFESA-N. The full InChI is InChI=1S/C20H38N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2)3/h9-10,14-15,20H,4-8,11-13,16-19H2,1-3H3/b10-9+,15-14-,21-20+.
What are the key properties of N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine?
N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine has a molecular weight of 306.54 g/mol, XLogP of 6.35, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[(6Z,11E)-octadeca-6,11-dienylidene]amino]methanamine is sourced from PubChem (CID 177489737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).