(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine

C13H19N — CID 88576624

IUPAC(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
SMILESC=C/N=C/C(/C=C\C)=C(\C=C)C(C)C
InChIInChI=1S/C13H19N/c1-6-9-12(10-14-8-3)13(7-2)11(4)5/h6-11H,2-3H2,1,4-5H3/b9-6-,13-12+,14-10+
InChIKeyYJHLQMWUUFCLIR-DDGISMHHSA-N
MW189.30 g/mol
LogP3.92
Rot. Bonds5

About (2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine

(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine (PubChem CID 88576624) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
PubChem CID88576624
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
SMILESC=C/N=C/C(/C=C\C)=C(\C=C)C(C)C
InChIInChI=1S/C13H19N/c1-6-9-12(10-14-8-3)13(7-2)11(4)5/h6-11H,2-3H2,1,4-5H3/b9-6-,13-12+,14-10+
InChIKeyYJHLQMWUUFCLIR-DDGISMHHSA-N
XLogP3.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.92
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 (2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine (CID 88576624) is (2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine is C=C/N=C/C(/C=C\C)=C(\C=C)C(C)C.
What is the InChIKey of (2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine?
The InChIKey is YJHLQMWUUFCLIR-DDGISMHHSA-N. The full InChI is InChI=1S/C13H19N/c1-6-9-12(10-14-8-3)13(7-2)11(4)5/h6-11H,2-3H2,1,4-5H3/b9-6-,13-12+,14-10+.
What are the key properties of (2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine?
(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine has a molecular weight of 189.30 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine is sourced from PubChem (CID 88576624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).