(4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine

C23H39N — CID 126710392

IUPAC(4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine
SMILESCC/C=C\CCCCCCC/C=C\C/C=C\C/C=C\CC/C=N\C
InChIInChI=1S/C23H39N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h4-5,13-14,16-17,19-20,23H,3,6-12,15,18,21-22H2,1-2H3/b5-4-,14-13-,17-16-,20-19-,24-23-
InChIKeyXFRDLRWYXUGLKC-RECWKPBSSA-N
MW329.57 g/mol
LogP7.61
Rot. Bonds16

About (4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine

(4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine (PubChem CID 126710392) has the molecular formula C23H39N and a molecular weight of 329.57 g/mol. Its IUPAC name is (4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine.

Molecular Properties

Compound Name(4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine
PubChem CID126710392
Molecular FormulaC23H39N
Molecular Weight329.57 g/mol
Exact Mass329.31
IUPAC Name(4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine
SMILESCC/C=C\CCCCCCC/C=C\C/C=C\C/C=C\CC/C=N\C
InChIInChI=1S/C23H39N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h4-5,13-14,16-17,19-20,23H,3,6-12,15,18,21-22H2,1-2H3/b5-4-,14-13-,17-16-,20-19-,24-23-
InChIKeyXFRDLRWYXUGLKC-RECWKPBSSA-N
XLogP7.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.57
LogP ≤ 57.61
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine 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 (4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine?
The IUPAC name of (4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine (CID 126710392) is (4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine.
What is the SMILES notation for (4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine?
The canonical SMILES for (4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine is CC/C=C\CCCCCCC/C=C\C/C=C\C/C=C\CC/C=N\C.
What is the InChIKey of (4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine?
The InChIKey is XFRDLRWYXUGLKC-RECWKPBSSA-N. The full InChI is InChI=1S/C23H39N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-2/h4-5,13-14,16-17,19-20,23H,3,6-12,15,18,21-22H2,1-2H3/b5-4-,14-13-,17-16-,20-19-,24-23-.
What are the key properties of (4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine?
(4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine has a molecular weight of 329.57 g/mol, XLogP of 7.61, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,19Z)-N-methyldocosa-4,7,10,19-tetraen-1-imine is sourced from PubChem (CID 126710392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).