(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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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).