(3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine

C18H31N — CID 139332369

IUPAC(3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine
SMILESC=C/C=C\C(=N/C=C)C(CCCC)CCCCCC
InChIInChI=1S/C18H31N/c1-5-9-12-13-15-17(14-10-6-2)18(19-8-4)16-11-7-3/h7-8,11,16-17H,3-6,9-10,12-15H2,1-2H3/b16-11-,19-18+
InChIKeyJEOVCRHNFDTCSX-QOOZPXINSA-N
MW261.45 g/mol
LogP6.09
Rot. Bonds12

About (3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine

(3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine (PubChem CID 139332369) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is (3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine.

Molecular Properties

Compound Name(3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine
PubChem CID139332369
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name(3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine
SMILESC=C/C=C\C(=N/C=C)C(CCCC)CCCCCC
InChIInChI=1S/C18H31N/c1-5-9-12-13-15-17(14-10-6-2)18(19-8-4)16-11-7-3/h7-8,11,16-17H,3-6,9-10,12-15H2,1-2H3/b16-11-,19-18+
InChIKeyJEOVCRHNFDTCSX-QOOZPXINSA-N
XLogP6.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 56.09
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 (3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-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

2-Cyclohexylazocine
CID 57297876
5-[1-[2,3-Dimethyl-4-(trifluoromethyl)cyclohepta-1,4,6-trien-1-yl]ethyl]-2-methyl-3,4-dihydropyridine
CID 123280534
2-butyl-3-ethyl-6-fluoro-3H-azepine
CID 123565806
(3E,5E,7E)-2-[(Z)-3-butyl-2-propylhept-1-enyl]-6-ethyl-7-fluoroazocine
CID 142120902
(6E,7E)-N-ethenyl-3-ethyl-2-fluoro-8-(2-fluoropropan-2-yl)-2-methyl-6-propylidenedeca-7,9-dien-5-imine
CID 166651414
4-(3,5-Dimethylcyclohex-3-en-1-yl)-7-fluoro-4a,5-dihydrobenzo[f]isoquinoline
CID 166812448
(E)-3-butan-2-yl-N-[(1E)-1-fluorobuta-1,3-dienyl]-4,9-dimethyldec-3-en-2-imine
CID 173651074
Aza-bicyclononatriene
CID 129652699
Azabicyclodecadiene
CID 129783485
(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine
CID 143491167
(8E,10Z)-6-ethyl-9-fluoro-N-methyl-7-methylidenedodeca-8,10-dien-5-imine
CID 143491216
(Z)-N-ethenyl-3-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-4,5-dimethylhept-3-en-2-imine
CID 144383744

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine?
The IUPAC name of (3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine (CID 139332369) is (3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine.
What is the SMILES notation for (3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine?
The canonical SMILES for (3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine is C=C/C=C\C(=N/C=C)C(CCCC)CCCCCC.
What is the InChIKey of (3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine?
The InChIKey is JEOVCRHNFDTCSX-QOOZPXINSA-N. The full InChI is InChI=1S/C18H31N/c1-5-9-12-13-15-17(14-10-6-2)18(19-8-4)16-11-7-3/h7-8,11,16-17H,3-6,9-10,12-15H2,1-2H3/b16-11-,19-18+.
What are the key properties of (3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine?
(3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine has a molecular weight of 261.45 g/mol, XLogP of 6.09, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine is sourced from PubChem (CID 139332369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).