(3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine

C18H21N — CID 145447757

IUPAC(3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine
SMILESC=C/C=C\C(=C)C/C=C\C/C=N/Cc1ccccc1
InChIInChI=1S/C18H21N/c1-3-4-11-17(2)12-7-6-10-15-19-16-18-13-8-5-9-14-18/h3-9,11,13-15H,1-2,10,12,16H2/b7-6-,11-4-,19-15+
InChIKeyXLLLCDIETCMXLD-NKUDHOAYSA-N
MW251.37 g/mol
LogP4.89
Rot. Bonds8

About (3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine

(3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine (PubChem CID 145447757) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is (3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine.

Molecular Properties

Compound Name(3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine
PubChem CID145447757
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name(3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine
SMILESC=C/C=C\C(=C)C/C=C\C/C=N/Cc1ccccc1
InChIInChI=1S/C18H21N/c1-3-4-11-17(2)12-7-6-10-15-19-16-18-13-8-5-9-14-18/h3-9,11,13-15H,1-2,10,12,16H2/b7-6-,11-4-,19-15+
InChIKeyXLLLCDIETCMXLD-NKUDHOAYSA-N
XLogP4.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-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

Related Compounds

(E)-N-benzyl-4-phenylbut-3-en-1-imine
CID 101087207
ethylbenzene;(3Z)-5-methylideneocta-1,3-diene
CID 142937087
azane;ethylbenzene;(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 162357982
N-benzylpent-2-en-1-imine
CID 71349655
N-benzyldecan-1-imine
CID 11276634
5-methylideneocta-1,3,7-trienylbenzene
CID 173155039
N-benzyl-3-methylbutan-1-imine
CID 11457986
(2E,4Z)-3-benzylhepta-2,4,6-triene-2-thiol
CID 144560586
N-benzyl-2-naphthalen-2-ylethanimine
CID 139964644
(2E)-4-benzylpenta-2,4-dienal
CID 146162292
N-benzyl-2,2,4,4-tetramethyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]pentan-1-amine
CID 171081806
(Z)-N-benzylbut-2-en-1-imine
CID 141334721

Frequently Asked Questions

What is the IUPAC name of (3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine?
The IUPAC name of (3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine (CID 145447757) is (3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine.
What is the SMILES notation for (3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine?
The canonical SMILES for (3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine is C=C/C=C\C(=C)C/C=C\C/C=N/Cc1ccccc1.
What is the InChIKey of (3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine?
The InChIKey is XLLLCDIETCMXLD-NKUDHOAYSA-N. The full InChI is InChI=1S/C18H21N/c1-3-4-11-17(2)12-7-6-10-15-19-16-18-13-8-5-9-14-18/h3-9,11,13-15H,1-2,10,12,16H2/b7-6-,11-4-,19-15+.
What are the key properties of (3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine?
(3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine has a molecular weight of 251.37 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-N-benzyl-6-methylidenedeca-3,7,9-trien-1-imine is sourced from PubChem (CID 145447757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).