N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine

C12H19N — CID 90909232

IUPACN-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine
SMILESCC=C(C)/C=C/C(/N=C/C)=C(C)C
InChIInChI=1S/C12H19N/c1-6-11(5)8-9-12(10(3)4)13-7-2/h6-9H,1-5H3/b9-8+,11-6?,13-7+
InChIKeyXRECITPUPLBNKZ-MLUVRDSISA-N
MW177.29 g/mol
LogP3.89
Rot. Bonds3

About N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine

N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine (PubChem CID 90909232) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine.

Molecular Properties

Compound NameN-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine
PubChem CID90909232
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine
SMILESCC=C(C)/C=C/C(/N=C/C)=C(C)C
InChIInChI=1S/C12H19N/c1-6-11(5)8-9-12(10(3)4)13-7-2/h6-9H,1-5H3/b9-8+,11-6?,13-7+
InChIKeyXRECITPUPLBNKZ-MLUVRDSISA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.89
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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Related Compounds

Diethylideneaniline
CID 70417807
Bis-propylideneaniline
CID 129791915
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
CID 130414005
N-[(2Z,4Z,6E,8Z)-6-ethenyl-11,11,11-trifluoroundeca-2,4,6,8-tetraen-5-yl]ethanimine
CID 138715311
N-[(3E,5E)-5-fluoro-3-methylhepta-1,3,5-trien-4-yl]ethanimine
CID 142004197
(2E,4Z)-N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-imine
CID 144102746
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669
(2Z)-2-(1-fluoroprop-2-enylidene)-3-methylidenepyridine
CID 144425521
N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462

Frequently Asked Questions

What is the IUPAC name of N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine?
The IUPAC name of N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine (CID 90909232) is N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine.
What is the SMILES notation for N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine?
The canonical SMILES for N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine is CC=C(C)/C=C/C(/N=C/C)=C(C)C.
What is the InChIKey of N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine?
The InChIKey is XRECITPUPLBNKZ-MLUVRDSISA-N. The full InChI is InChI=1S/C12H19N/c1-6-11(5)8-9-12(10(3)4)13-7-2/h6-9H,1-5H3/b9-8+,11-6?,13-7+.
What are the key properties of N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine?
N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine has a molecular weight of 177.29 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-2,6-dimethylocta-2,4,6-trien-3-yl]ethanimine is sourced from PubChem (CID 90909232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).