4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine

C13H19N — CID 123962146

IUPAC4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine
SMILESC=CC(C=C(/C=N/C)C(=C)C)=C(C)C
InChIInChI=1S/C13H19N/c1-7-12(10(2)3)8-13(9-14-6)11(4)5/h7-9H,1,4H2,2-3,5-6H3/b13-8?,14-9+
InChIKeyMANRBVKAMKYDIU-MYHHFUCRSA-N
MW189.30 g/mol
LogP3.71
Rot. Bonds4

About 4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine

4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine (PubChem CID 123962146) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine
PubChem CID123962146
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine
SMILESC=CC(C=C(/C=N/C)C(=C)C)=C(C)C
InChIInChI=1S/C13H19N/c1-7-12(10(2)3)8-13(9-14-6)11(4)5/h7-9H,1,4H2,2-3,5-6H3/b13-8?,14-9+
InChIKeyMANRBVKAMKYDIU-MYHHFUCRSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.71
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'}

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Related Compounds

3-Methanidylidenepyridin-1-ium
CID 59909632
(1E)-N-Butyl-2-ethylhex-2-en-1-imine
CID 71362789
N,3-dimethylpenta-2,4-dien-1-imine
CID 91152501
N,4-dimethyl-2-(trifluoromethyl)penta-2,4-dien-1-imine
CID 123408100
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
(Z,4Z)-N-(1-fluoroethenyl)-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 145480550
(2E,4E)-N-ethyl-2-methyl-3-(trifluoromethyl)hexa-2,4-dien-1-imine
CID 146667427
(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine
CID 155306408
(E,2E)-2-ethylidene-5,5,5-trifluoro-N,4-dimethylpent-3-en-1-imine
CID 155373908
(2E,3Z,6E,8Z)-2-ethylidene-6-fluoro-5-methylidenedeca-3,6,8-trien-1-imine
CID 156073483
(2E)-2-[(E)-2-fluoroethenyl]-N-methylpenta-2,4-dien-1-imine
CID 163583953

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine?
The IUPAC name of 4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine (CID 123962146) is 4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine.
What is the SMILES notation for 4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine?
The canonical SMILES for 4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine is C=CC(C=C(/C=N/C)C(=C)C)=C(C)C.
What is the InChIKey of 4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine?
The InChIKey is MANRBVKAMKYDIU-MYHHFUCRSA-N. The full InChI is InChI=1S/C13H19N/c1-7-12(10(2)3)8-13(9-14-6)11(4)5/h7-9H,1,4H2,2-3,5-6H3/b13-8?,14-9+.
What are the key properties of 4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine?
4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine has a molecular weight of 189.30 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N,5-dimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine is sourced from PubChem (CID 123962146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).