ethane;(Z)-N-ethylhept-2-en-4-imine

C11H23N — CID 166091969

IUPACethane;(Z)-N-ethylhept-2-en-4-imine
SMILESC/C=C\C(CCC)=N\CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-4-7-9(8-5-2)10-6-3;1-2/h4,7H,5-6,8H2,1-3H3;1-2H3/b7-4-,10-9-;
InChIKeyKHJQSQVBVUZCER-DBDVFUPWSA-N
MW169.31 g/mol
LogP3.85
Rot. Bonds4

About ethane;(Z)-N-ethylhept-2-en-4-imine

ethane;(Z)-N-ethylhept-2-en-4-imine (PubChem CID 166091969) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is ethane;(Z)-N-ethylhept-2-en-4-imine.

Molecular Properties

Compound Nameethane;(Z)-N-ethylhept-2-en-4-imine
PubChem CID166091969
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nameethane;(Z)-N-ethylhept-2-en-4-imine
SMILESC/C=C\C(CCC)=N\CC.CC
InChIInChI=1S/C9H17N.C2H6/c1-4-7-9(8-5-2)10-6-3;1-2/h4,7H,5-6,8H2,1-3H3;1-2H3/b7-4-,10-9-;
InChIKeyKHJQSQVBVUZCER-DBDVFUPWSA-N
XLogP3.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 76453742
Koreenceine A
CID 146683591
3Hlutidine
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6-Ethyl-2,3-dihydropyridine
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(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
CID 67991646
N-[(5Z,7S)-7-fluorodeca-5,9-dien-3-yl]propan-2-imine
CID 89341029
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
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CID 123917895

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-ethylhept-2-en-4-imine?
The IUPAC name of ethane;(Z)-N-ethylhept-2-en-4-imine (CID 166091969) is ethane;(Z)-N-ethylhept-2-en-4-imine.
What is the SMILES notation for ethane;(Z)-N-ethylhept-2-en-4-imine?
The canonical SMILES for ethane;(Z)-N-ethylhept-2-en-4-imine is C/C=C\C(CCC)=N\CC.CC.
What is the InChIKey of ethane;(Z)-N-ethylhept-2-en-4-imine?
The InChIKey is KHJQSQVBVUZCER-DBDVFUPWSA-N. The full InChI is InChI=1S/C9H17N.C2H6/c1-4-7-9(8-5-2)10-6-3;1-2/h4,7H,5-6,8H2,1-3H3;1-2H3/b7-4-,10-9-;.
What are the key properties of ethane;(Z)-N-ethylhept-2-en-4-imine?
ethane;(Z)-N-ethylhept-2-en-4-imine has a molecular weight of 169.31 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethylhept-2-en-4-imine is sourced from PubChem (CID 166091969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).