(2Z,4Z)-2-butylhexa-2,4-dien-1-imine

C10H17N — CID 118974505

IUPAC(2Z,4Z)-2-butylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C/C)CCCC
InChIInChI=1S/C10H17N/c1-3-5-7-10(9-11)8-6-4-2/h3,5,7,9,11H,4,6,8H2,1-2H3/b5-3-,10-7-,11-9+
InChIKeyVLGKTRSVELNBCP-RYWRVUGXSA-N
MW151.25 g/mol
LogP3.33
Rot. Bonds5

About (2Z,4Z)-2-butylhexa-2,4-dien-1-imine

(2Z,4Z)-2-butylhexa-2,4-dien-1-imine (PubChem CID 118974505) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2Z,4Z)-2-butylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-2-butylhexa-2,4-dien-1-imine
PubChem CID118974505
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2Z,4Z)-2-butylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C(=C\C=C/C)CCCC
InChIInChI=1S/C10H17N/c1-3-5-7-10(9-11)8-6-4-2/h3,5,7,9,11H,4,6,8H2,1-2H3/b5-3-,10-7-,11-9+
InChIKeyVLGKTRSVELNBCP-RYWRVUGXSA-N
XLogP3.33
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-2-butylhexa-2,4-dien-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

Iminosqualene
CID 129661666
4-Ethyl-5-fluoroocta-4,6-diene-1,3-diimine
CID 123282351
[7-Fluoro-3-[1-(2-methanimidoyl-3-methylidenecyclohexa-1,5-dien-1-yl)buta-1,2-dienyl]cyclohepta-1,3,4-trien-1-yl]methanimine
CID 123577980
[2-[1-(5-Fluoro-6-methanimidoylcyclohepta-1,2,4,6-tetraen-1-yl)buta-1,2-dienyl]cyclohexa-1,3-dien-1-yl]methanimine
CID 123702818
(2Z)-2-but-3-en-2-ylidene-4,4-difluorohexan-1-imine
CID 138703082
(2E)-4-fluoro-2,3-dimethylnona-2,8-dien-1-imine
CID 146318082
(2E,3Z,6E,8Z)-2-ethylidene-6-fluoro-5-methylidenedeca-3,6,8-trien-1-imine
CID 156073483
[6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine
CID 163575105
(2Z,4Z)-2-ethenyl-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 164068110
(2Z,4Z,6E)-8-fluoro-2-[2-(fluoromethyl)prop-2-enylidene]-7-methyl-3-methylideneocta-4,6-dien-1-imine
CID 166651452
(2Z,3Z,5Z)-3-(fluoromethyl)-5,6-dimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 166669652
(Z,2Z)-2-(1-fluoroethylidene)-5-methylideneoct-3-en-1-imine
CID 166907396

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-butylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-2-butylhexa-2,4-dien-1-imine (CID 118974505) is (2Z,4Z)-2-butylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-2-butylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-2-butylhexa-2,4-dien-1-imine is [H]/N=C/C(=C\C=C/C)CCCC.
What is the InChIKey of (2Z,4Z)-2-butylhexa-2,4-dien-1-imine?
The InChIKey is VLGKTRSVELNBCP-RYWRVUGXSA-N. The full InChI is InChI=1S/C10H17N/c1-3-5-7-10(9-11)8-6-4-2/h3,5,7,9,11H,4,6,8H2,1-2H3/b5-3-,10-7-,11-9+.
What are the key properties of (2Z,4Z)-2-butylhexa-2,4-dien-1-imine?
(2Z,4Z)-2-butylhexa-2,4-dien-1-imine has a molecular weight of 151.25 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-butylhexa-2,4-dien-1-imine is sourced from PubChem (CID 118974505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).