N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine

C20H37N — CID 134213997

IUPACN-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine
SMILESC=N/C=C\C(=C/CC)C(CCCCCC)CCCCCC
InChIInChI=1S/C20H37N/c1-5-8-10-12-15-20(16-13-11-9-6-2)19(14-7-3)17-18-21-4/h14,17-18,20H,4-13,15-16H2,1-3H3/b18-17-,19-14+
InChIKeyLZDVTQJHPDBCRY-VEHOVBPFSA-N
MW291.52 g/mol
LogP7.09
Rot. Bonds14

About N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine

N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine (PubChem CID 134213997) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine.

Molecular Properties

Compound NameN-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine
PubChem CID134213997
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC NameN-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine
SMILESC=N/C=C\C(=C/CC)C(CCCCCC)CCCCCC
InChIInChI=1S/C20H37N/c1-5-8-10-12-15-20(16-13-11-9-6-2)19(14-7-3)17-18-21-4/h14,17-18,20H,4-13,15-16H2,1-3H3/b18-17-,19-14+
InChIKeyLZDVTQJHPDBCRY-VEHOVBPFSA-N
XLogP7.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine 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-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine?
The IUPAC name of N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine (CID 134213997) is N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine.
What is the SMILES notation for N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine?
The canonical SMILES for N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine is C=N/C=C\C(=C/CC)C(CCCCCC)CCCCCC.
What is the InChIKey of N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine?
The InChIKey is LZDVTQJHPDBCRY-VEHOVBPFSA-N. The full InChI is InChI=1S/C20H37N/c1-5-8-10-12-15-20(16-13-11-9-6-2)19(14-7-3)17-18-21-4/h14,17-18,20H,4-13,15-16H2,1-3H3/b18-17-,19-14+.
What are the key properties of N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine?
N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine has a molecular weight of 291.52 g/mol, XLogP of 7.09, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3Z)-4-hexyl-3-propylidenedec-1-enyl]methanimine is sourced from PubChem (CID 134213997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).