(E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine

C13H19N — CID 126661925

IUPAC(E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
SMILESC=CC(=C\C)/C(C)=N\C(=C/C)C(=C)C
InChIInChI=1S/C13H19N/c1-7-12(8-2)11(6)14-13(9-3)10(4)5/h7-9H,1,4H2,2-3,5-6H3/b12-8+,13-9-,14-11+
InChIKeyHKBXXKXOHDRHOR-WVNRIDFZSA-N
MW189.30 g/mol
LogP4.06
Rot. Bonds4

About (E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine

(E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine (PubChem CID 126661925) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine.

Molecular Properties

Compound Name(E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
PubChem CID126661925
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
SMILESC=CC(=C\C)/C(C)=N\C(=C/C)C(=C)C
InChIInChI=1S/C13H19N/c1-7-12(8-2)11(6)14-13(9-3)10(4)5/h7-9H,1,4H2,2-3,5-6H3/b12-8+,13-9-,14-11+
InChIKeyHKBXXKXOHDRHOR-WVNRIDFZSA-N
XLogP4.06
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 ≤ 54.06
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

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CID 21672375
4H-Carbazole
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2H-carbazole
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CID 20077160
N-(5-fluoro-3,6-dimethylnona-1,3,5-trien-2-yl)propan-2-imine
CID 123669970
(3E,5E)-6-fluoro-N-[(E)-pent-2-en-4-yn-2-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine
CID 129210535
(3Z,5E)-N-[(3Z)-3-fluorohepta-1,3-dien-4-yl]-3,4-dimethylhepta-3,5-dien-2-imine
CID 134448737
(E)-N-[(3E,5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,3,5-trien-3-yl]pent-3-en-2-imine
CID 139518460
N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 142320203
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
(3Z,5E)-3-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)hepta-3,5-dien-2-imine
CID 166648532
(5E)-4-(C,N-dimethylcarbonimidoyl)-6-fluoro-2-methylocta-1,3,5,7-tetraen-3-amine
CID 173707405

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine?
The IUPAC name of (E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine (CID 126661925) is (E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine.
What is the SMILES notation for (E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine?
The canonical SMILES for (E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine is C=CC(=C\C)/C(C)=N\C(=C/C)C(=C)C.
What is the InChIKey of (E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine?
The InChIKey is HKBXXKXOHDRHOR-WVNRIDFZSA-N. The full InChI is InChI=1S/C13H19N/c1-7-12(8-2)11(6)14-13(9-3)10(4)5/h7-9H,1,4H2,2-3,5-6H3/b12-8+,13-9-,14-11+.
What are the key properties of (E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine?
(E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine has a molecular weight of 189.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenyl-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine is sourced from PubChem (CID 126661925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).