(3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine

C14H19N — CID 126661347

IUPAC(3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine
SMILESC=C/C=C(\C=C/C)C(/C)=N\C(C=C)=C/C
InChIInChI=1S/C14H19N/c1-6-10-13(11-7-2)12(5)15-14(8-3)9-4/h6-11H,1,3H2,2,4-5H3/b11-7-,13-10+,14-9-,15-12+
InChIKeyOJRRKADNXOJUHZ-QGALFEHUSA-N
MW201.31 g/mol
LogP4.23
Rot. Bonds5

About (3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine

(3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine (PubChem CID 126661347) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine
PubChem CID126661347
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine
SMILESC=C/C=C(\C=C/C)C(/C)=N\C(C=C)=C/C
InChIInChI=1S/C14H19N/c1-6-10-13(11-7-2)12(5)15-14(8-3)9-4/h6-11H,1,3H2,2,4-5H3/b11-7-,13-10+,14-9-,15-12+
InChIKeyOJRRKADNXOJUHZ-QGALFEHUSA-N
XLogP4.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.23
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 (3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine?
The IUPAC name of (3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine (CID 126661347) is (3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine.
What is the SMILES notation for (3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine?
The canonical SMILES for (3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine is C=C/C=C(\C=C/C)C(/C)=N\C(C=C)=C/C.
What is the InChIKey of (3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine?
The InChIKey is OJRRKADNXOJUHZ-QGALFEHUSA-N. The full InChI is InChI=1S/C14H19N/c1-6-10-13(11-7-2)12(5)15-14(8-3)9-4/h6-11H,1,3H2,2,4-5H3/b11-7-,13-10+,14-9-,15-12+.
What are the key properties of (3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine?
(3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine has a molecular weight of 201.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[(3Z)-penta-1,3-dien-3-yl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine is sourced from PubChem (CID 126661347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).