(3E)-N-ethyl-3-ethylidenehex-4-en-2-imine

C10H17N — CID 123147224

IUPAC(3E)-N-ethyl-3-ethylidenehex-4-en-2-imine
SMILESCC=CC(=C\C)/C(C)=N/CC
InChIInChI=1S/C10H17N/c1-5-8-10(6-2)9(4)11-7-3/h5-6,8H,7H2,1-4H3/b8-5?,10-6+,11-9+
InChIKeyPESLLIWOSTZVBF-WIDSEFBUSA-N
MW151.25 g/mol
LogP2.99
Rot. Bonds3

About (3E)-N-ethyl-3-ethylidenehex-4-en-2-imine

(3E)-N-ethyl-3-ethylidenehex-4-en-2-imine (PubChem CID 123147224) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3E)-N-ethyl-3-ethylidenehex-4-en-2-imine.

Molecular Properties

Compound Name(3E)-N-ethyl-3-ethylidenehex-4-en-2-imine
PubChem CID123147224
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3E)-N-ethyl-3-ethylidenehex-4-en-2-imine
SMILESCC=CC(=C\C)/C(C)=N/CC
InChIInChI=1S/C10H17N/c1-5-8-10(6-2)9(4)11-7-3/h5-6,8H,7H2,1-4H3/b8-5?,10-6+,11-9+
InChIKeyPESLLIWOSTZVBF-WIDSEFBUSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.99
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

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(3E,5E)-7,7,7-trifluoro-3,6-dimethyl-N-prop-2-enylhepta-3,5-dien-2-imine
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(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
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Frequently Asked Questions

What is the IUPAC name of (3E)-N-ethyl-3-ethylidenehex-4-en-2-imine?
The IUPAC name of (3E)-N-ethyl-3-ethylidenehex-4-en-2-imine (CID 123147224) is (3E)-N-ethyl-3-ethylidenehex-4-en-2-imine.
What is the SMILES notation for (3E)-N-ethyl-3-ethylidenehex-4-en-2-imine?
The canonical SMILES for (3E)-N-ethyl-3-ethylidenehex-4-en-2-imine is CC=CC(=C\C)/C(C)=N/CC.
What is the InChIKey of (3E)-N-ethyl-3-ethylidenehex-4-en-2-imine?
The InChIKey is PESLLIWOSTZVBF-WIDSEFBUSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8-10(6-2)9(4)11-7-3/h5-6,8H,7H2,1-4H3/b8-5?,10-6+,11-9+.
What are the key properties of (3E)-N-ethyl-3-ethylidenehex-4-en-2-imine?
(3E)-N-ethyl-3-ethylidenehex-4-en-2-imine has a molecular weight of 151.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethyl-3-ethylidenehex-4-en-2-imine is sourced from PubChem (CID 123147224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).