N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine

C15H25N — CID 145143647

IUPACN-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine
SMILESC/C=N/C(C)=C(/C=C\CCC)C(\C)=C\CC
InChIInChI=1S/C15H25N/c1-6-9-10-12-15(13(4)11-7-2)14(5)16-8-3/h8,10-12H,6-7,9H2,1-5H3/b12-10-,13-11+,15-14-,16-8+
InChIKeyFSYXWRHRZVIXQE-RMWNGUNFSA-N
MW219.37 g/mol
LogP5.06
Rot. Bonds6

About N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine

N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine (PubChem CID 145143647) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine
PubChem CID145143647
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine
SMILESC/C=N/C(C)=C(/C=C\CCC)C(\C)=C\CC
InChIInChI=1S/C15H25N/c1-6-9-10-12-15(13(4)11-7-2)14(5)16-8-3/h8,10-12H,6-7,9H2,1-5H3/b12-10-,13-11+,15-14-,16-8+
InChIKeyFSYXWRHRZVIXQE-RMWNGUNFSA-N
XLogP5.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500219.37
LogP ≤ 55.06
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'}

Analyze N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine with MolForge

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Related Compounds

(3E,5E,6Z)-5-(1,1-difluoro-3-methylpentan-2-ylidene)-4-methyldeca-3,6-diene
CID 145143761
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
(3E,5Z)-nona-3,5-dien-4-amine
CID 146251565
ethane;N-[(Z)-pent-2-en-2-yl]ethanimine
CID 142915693
N-[(1E,3Z)-1-piperidin-4-yloxy-2-prop-1-en-2-ylhepta-1,3-dienyl]ethanimine
CID 177143066
(2E,4Z)-octa-2,4-dien-3-ol
CID 144538239
N-hept-3-en-4-ylethanimine
CID 123818491
(3E)-4-methyldeca-3,5-diene
CID 173452678
4,5-dimethyldeca-3,5-diene
CID 76540100
acetic acid;(3Z)-2-methylhepta-1,3-diene;propane
CID 145349004
3-ethylideneoct-4-enal
CID 57277151

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine (CID 145143647) is N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine is C/C=N/C(C)=C(/C=C\CCC)C(\C)=C\CC.
What is the InChIKey of N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine?
The InChIKey is FSYXWRHRZVIXQE-RMWNGUNFSA-N. The full InChI is InChI=1S/C15H25N/c1-6-9-10-12-15(13(4)11-7-2)14(5)16-8-3/h8,10-12H,6-7,9H2,1-5H3/b12-10-,13-11+,15-14-,16-8+.
What are the key properties of N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine?
N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine has a molecular weight of 219.37 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4Z)-3-[(E)-pent-2-en-2-yl]octa-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 145143647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).