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

C11H17N — CID 91116659

IUPACN-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine
SMILESCC=C(C)C=C/C=C(C)/N=C/C
InChIInChI=1S/C11H17N/c1-5-10(3)8-7-9-11(4)12-6-2/h5-9H,1-4H3/b8-7?,10-5?,11-9+,12-6+
InChIKeyGJOWJSOUAPHLFN-UIBNWKBXSA-N
MW163.26 g/mol
LogP3.50
Rot. Bonds3

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

N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine (PubChem CID 91116659) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine
PubChem CID91116659
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC NameN-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine
SMILESCC=C(C)C=C/C=C(C)/N=C/C
InChIInChI=1S/C11H17N/c1-5-10(3)8-7-9-11(4)12-6-2/h5-9H,1-4H3/b8-7?,10-5?,11-9+,12-6+
InChIKeyGJOWJSOUAPHLFN-UIBNWKBXSA-N
XLogP3.50
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.50
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

(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
(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-[(2E)-4-(trifluoromethyl)penta-2,4-dien-2-yl]ethanimine
CID 139320155
(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
N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462
[(3Z,5Z)-4-fluoro-3-methylocta-1,3,5-trien-2-yl]-methyl-prop-2-enylideneazanium
CID 153552729
(E)-N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]but-2-en-1-imine
CID 163739316
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine
CID 163860907

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine?
The IUPAC name of N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine (CID 91116659) is N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine.
What is the SMILES notation for N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine?
The canonical SMILES for N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine is CC=C(C)C=C/C=C(C)/N=C/C.
What is the InChIKey of N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine?
The InChIKey is GJOWJSOUAPHLFN-UIBNWKBXSA-N. The full InChI is InChI=1S/C11H17N/c1-5-10(3)8-7-9-11(4)12-6-2/h5-9H,1-4H3/b8-7?,10-5?,11-9+,12-6+.
What are the key properties of N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine?
N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine has a molecular weight of 163.26 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-6-methylocta-2,4,6-trien-2-yl]ethanimine is sourced from PubChem (CID 91116659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).