N-(2-ethylhepta-1,3-dienyl)ethanimine

C11H19N — CID 91281205

IUPACN-(2-ethylhepta-1,3-dienyl)ethanimine
SMILESC/C=N/C=C(C=CCCC)CC
InChIInChI=1S/C11H19N/c1-4-7-8-9-11(5-2)10-12-6-3/h6,8-10H,4-5,7H2,1-3H3/b9-8?,11-10?,12-6+
InChIKeyXMYSPYMIWKALNS-DHCVTCHKSA-N
MW165.28 g/mol
LogP3.73
Rot. Bonds5

About N-(2-ethylhepta-1,3-dienyl)ethanimine

N-(2-ethylhepta-1,3-dienyl)ethanimine (PubChem CID 91281205) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-(2-ethylhepta-1,3-dienyl)ethanimine.

Molecular Properties

Compound NameN-(2-ethylhepta-1,3-dienyl)ethanimine
PubChem CID91281205
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-(2-ethylhepta-1,3-dienyl)ethanimine
SMILESC/C=N/C=C(C=CCCC)CC
InChIInChI=1S/C11H19N/c1-4-7-8-9-11(5-2)10-12-6-3/h6,8-10H,4-5,7H2,1-3H3/b9-8?,11-10?,12-6+
InChIKeyXMYSPYMIWKALNS-DHCVTCHKSA-N
XLogP3.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.73
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

Benzazocine
CID 19879720
N-[2-methyl-3-methylidene-5-(trifluoromethyl)hepta-1,4,6-trienyl]ethanimine
CID 91593348
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
CID 129172083
N-[(1E,3E,5Z)-4-ethyl-2-fluorohepta-1,3,5-trienyl]methanimine
CID 130413111
N-[(1E,3Z)-2-(trifluoromethyl)hexa-1,3-dienyl]ethanimine
CID 142839013
N-[(1E,3Z)-2-(trifluoromethyl)penta-1,3-dienyl]ethanimine
CID 143139877
(Z)-N-[(1Z,3E)-1-fluoro-2,3-dimethylhexa-1,3-dienyl]ethanimine
CID 144279669
N-[(1Z,3Z)-6-fluoro-2-methylhepta-1,3-dienyl]methanimine
CID 153589803
(4E)-4-[(3Z,5Z)-7-fluoro-3-methyl-2-methylidenehepta-3,5-dienylidene]-3H-pyridine
CID 156341896
N-[(2E,4Z,5E)-4-ethylidene-3-fluorohepta-2,5-dien-2-yl]ethanimine
CID 166976510
3,6-ditert-butyl-3H-azepine
CID 10987408

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhepta-1,3-dienyl)ethanimine?
The IUPAC name of N-(2-ethylhepta-1,3-dienyl)ethanimine (CID 91281205) is N-(2-ethylhepta-1,3-dienyl)ethanimine.
What is the SMILES notation for N-(2-ethylhepta-1,3-dienyl)ethanimine?
The canonical SMILES for N-(2-ethylhepta-1,3-dienyl)ethanimine is C/C=N/C=C(C=CCCC)CC.
What is the InChIKey of N-(2-ethylhepta-1,3-dienyl)ethanimine?
The InChIKey is XMYSPYMIWKALNS-DHCVTCHKSA-N. The full InChI is InChI=1S/C11H19N/c1-4-7-8-9-11(5-2)10-12-6-3/h6,8-10H,4-5,7H2,1-3H3/b9-8?,11-10?,12-6+.
What are the key properties of N-(2-ethylhepta-1,3-dienyl)ethanimine?
N-(2-ethylhepta-1,3-dienyl)ethanimine has a molecular weight of 165.28 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhepta-1,3-dienyl)ethanimine is sourced from PubChem (CID 91281205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).