(3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine

C20H33N — CID 170197140

IUPAC(3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine
SMILESC/C=C\C(=C/C)C(C)/N=C/C(/C=C\C(=C/C)CC)CCC
InChIInChI=1S/C20H33N/c1-7-12-19(15-14-18(9-3)10-4)16-21-17(6)20(11-5)13-8-2/h8-9,11,13-17,19H,7,10,12H2,1-6H3/b13-8-,15-14-,18-9-,20-11+,21-16+
InChIKeyXYGNMEWVYJOADE-VTORAQEGSA-N
MW287.49 g/mol
LogP6.30
Rot. Bonds9

About (3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine

(3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine (PubChem CID 170197140) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is (3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine
PubChem CID170197140
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name(3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine
SMILESC/C=C\C(=C/C)C(C)/N=C/C(/C=C\C(=C/C)CC)CCC
InChIInChI=1S/C20H33N/c1-7-12-19(15-14-18(9-3)10-4)16-21-17(6)20(11-5)13-8-2/h8-9,11,13-17,19H,7,10,12H2,1-6H3/b13-8-,15-14-,18-9-,20-11+,21-16+
InChIKeyXYGNMEWVYJOADE-VTORAQEGSA-N
XLogP6.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 56.30
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 (3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine?
The IUPAC name of (3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine (CID 170197140) is (3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine.
What is the SMILES notation for (3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine?
The canonical SMILES for (3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine is C/C=C\C(=C/C)C(C)/N=C/C(/C=C\C(=C/C)CC)CCC.
What is the InChIKey of (3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine?
The InChIKey is XYGNMEWVYJOADE-VTORAQEGSA-N. The full InChI is InChI=1S/C20H33N/c1-7-12-19(15-14-18(9-3)10-4)16-21-17(6)20(11-5)13-8-2/h8-9,11,13-17,19H,7,10,12H2,1-6H3/b13-8-,15-14-,18-9-,20-11+,21-16+.
What are the key properties of (3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine?
(3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine has a molecular weight of 287.49 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethyl-N-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-propylhepta-3,5-dien-1-imine is sourced from PubChem (CID 170197140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).