N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine

C12H19N — CID 91416209

IUPACN-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine
SMILESC/C=C\C(=C/C)\N=C\C=C(C)CC
InChIInChI=1S/C12H19N/c1-5-8-12(7-3)13-10-9-11(4)6-2/h5,7-10H,6H2,1-4H3/b8-5-,11-9?,12-7+,13-10+
InChIKeyLBULYDPBKJSNPY-SMYQDJCASA-N
MW177.29 g/mol
LogP3.89
Rot. Bonds4

About N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine

N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine (PubChem CID 91416209) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine.

Molecular Properties

Compound NameN-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine
PubChem CID91416209
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine
SMILESC/C=C\C(=C/C)\N=C\C=C(C)CC
InChIInChI=1S/C12H19N/c1-5-8-12(7-3)13-10-9-11(4)6-2/h5,7-10H,6H2,1-4H3/b8-5-,11-9?,12-7+,13-10+
InChIKeyLBULYDPBKJSNPY-SMYQDJCASA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-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

3Benzazetine
CID 21909720
Bis(carbene)pyridine
CID 59931162
6h,7h-Quinoline
CID 67835501
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334
(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
CID 130414005
(2E)-2-[(E)-3-fluorobut-2-enylidene]-4-methyl-3-methylidenepyridine
CID 135128526
(Z)-N-[(2Z,4E)-4-ethyl-9-(trifluoromethyl)undeca-2,4,8-trien-3-yl]but-2-en-1-imine
CID 135278113
N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine
CID 138715311

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine?
The IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine (CID 91416209) is N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine.
What is the SMILES notation for N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine?
The canonical SMILES for N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine is C/C=C\C(=C/C)\N=C\C=C(C)CC.
What is the InChIKey of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine?
The InChIKey is LBULYDPBKJSNPY-SMYQDJCASA-N. The full InChI is InChI=1S/C12H19N/c1-5-8-12(7-3)13-10-9-11(4)6-2/h5,7-10H,6H2,1-4H3/b8-5-,11-9?,12-7+,13-10+.
What are the key properties of N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine?
N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-methylpent-2-en-1-imine is sourced from PubChem (CID 91416209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).