(E)-4-ethenyl-N-methylhept-2-en-1-imine

C10H17N — CID 89064411

IUPAC(E)-4-ethenyl-N-methylhept-2-en-1-imine
SMILESC=CC(/C=C/C=N/C)CCC
InChIInChI=1S/C10H17N/c1-4-7-10(5-2)8-6-9-11-3/h5-6,8-10H,2,4,7H2,1,3H3/b8-6+,11-9+
InChIKeyFAMMZKXRYUYJRE-ZOIFJEAISA-N
MW151.25 g/mol
LogP2.85
Rot. Bonds5

About (E)-4-ethenyl-N-methylhept-2-en-1-imine

(E)-4-ethenyl-N-methylhept-2-en-1-imine (PubChem CID 89064411) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (E)-4-ethenyl-N-methylhept-2-en-1-imine.

Molecular Properties

Compound Name(E)-4-ethenyl-N-methylhept-2-en-1-imine
PubChem CID89064411
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(E)-4-ethenyl-N-methylhept-2-en-1-imine
SMILESC=CC(/C=C/C=N/C)CCC
InChIInChI=1S/C10H17N/c1-4-7-10(5-2)8-6-9-11-3/h5-6,8-10H,2,4,7H2,1,3H3/b8-6+,11-9+
InChIKeyFAMMZKXRYUYJRE-ZOIFJEAISA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-ethenyl-N-methylhept-2-en-1-imine?
The IUPAC name of (E)-4-ethenyl-N-methylhept-2-en-1-imine (CID 89064411) is (E)-4-ethenyl-N-methylhept-2-en-1-imine.
What is the SMILES notation for (E)-4-ethenyl-N-methylhept-2-en-1-imine?
The canonical SMILES for (E)-4-ethenyl-N-methylhept-2-en-1-imine is C=CC(/C=C/C=N/C)CCC.
What is the InChIKey of (E)-4-ethenyl-N-methylhept-2-en-1-imine?
The InChIKey is FAMMZKXRYUYJRE-ZOIFJEAISA-N. The full InChI is InChI=1S/C10H17N/c1-4-7-10(5-2)8-6-9-11-3/h5-6,8-10H,2,4,7H2,1,3H3/b8-6+,11-9+.
What are the key properties of (E)-4-ethenyl-N-methylhept-2-en-1-imine?
(E)-4-ethenyl-N-methylhept-2-en-1-imine has a molecular weight of 151.25 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethenyl-N-methylhept-2-en-1-imine is sourced from PubChem (CID 89064411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).