(Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine

C12H17N — CID 126661612

IUPAC(Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine
SMILESC=CC(=C/C)/N=C(/C)C(=C)/C=C\C
InChIInChI=1S/C12H17N/c1-6-9-10(4)11(5)13-12(7-2)8-3/h6-9H,2,4H2,1,3,5H3/b9-6-,12-8-,13-11+
InChIKeyKFKLHMZIPNJQJG-QDRLCYCBSA-N
MW175.27 g/mol
LogP3.67
Rot. Bonds4

About (Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine

(Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine (PubChem CID 126661612) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine.

Molecular Properties

Compound Name(Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine
PubChem CID126661612
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine
SMILESC=CC(=C/C)/N=C(/C)C(=C)/C=C\C
InChIInChI=1S/C12H17N/c1-6-9-10(4)11(5)13-12(7-2)8-3/h6-9H,2,4H2,1,3,5H3/b9-6-,12-8-,13-11+
InChIKeyKFKLHMZIPNJQJG-QDRLCYCBSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.67
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

2,7-dimethyl-3H-azepine
CID 21672375
4H-Carbazole
CID 19360791
2H-carbazole
CID 19830578
Methyleneindole
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 (Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine?
The IUPAC name of (Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine (CID 126661612) is (Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine.
What is the SMILES notation for (Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine?
The canonical SMILES for (Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine is C=CC(=C/C)/N=C(/C)C(=C)/C=C\C.
What is the InChIKey of (Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine?
The InChIKey is KFKLHMZIPNJQJG-QDRLCYCBSA-N. The full InChI is InChI=1S/C12H17N/c1-6-9-10(4)11(5)13-12(7-2)8-3/h6-9H,2,4H2,1,3,5H3/b9-6-,12-8-,13-11+.
What are the key properties of (Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine?
(Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine has a molecular weight of 175.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylidene-N-[(3Z)-penta-1,3-dien-3-yl]hex-4-en-2-imine is sourced from PubChem (CID 126661612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).