N-[(E)-3-ethenylhex-1-enyl]ethanimine

C10H17N — CID 89064164

IUPACN-[(E)-3-ethenylhex-1-enyl]ethanimine
SMILESC=CC(/C=C/N=C/C)CCC
InChIInChI=1S/C10H17N/c1-4-7-10(5-2)8-9-11-6-3/h5-6,8-10H,2,4,7H2,1,3H3/b9-8+,11-6+
InChIKeyXRPODFNDQDMJEJ-LJOQIOMMSA-N
MW151.25 g/mol
LogP3.19
Rot. Bonds5

About N-[(E)-3-ethenylhex-1-enyl]ethanimine

N-[(E)-3-ethenylhex-1-enyl]ethanimine (PubChem CID 89064164) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-[(E)-3-ethenylhex-1-enyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-3-ethenylhex-1-enyl]ethanimine
PubChem CID89064164
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-[(E)-3-ethenylhex-1-enyl]ethanimine
SMILESC=CC(/C=C/N=C/C)CCC
InChIInChI=1S/C10H17N/c1-4-7-10(5-2)8-9-11-6-3/h5-6,8-10H,2,4,7H2,1,3H3/b9-8+,11-6+
InChIKeyXRPODFNDQDMJEJ-LJOQIOMMSA-N
XLogP3.19
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 ≤ 53.19
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 N-[(E)-3-ethenylhex-1-enyl]ethanimine?
The IUPAC name of N-[(E)-3-ethenylhex-1-enyl]ethanimine (CID 89064164) is N-[(E)-3-ethenylhex-1-enyl]ethanimine.
What is the SMILES notation for N-[(E)-3-ethenylhex-1-enyl]ethanimine?
The canonical SMILES for N-[(E)-3-ethenylhex-1-enyl]ethanimine is C=CC(/C=C/N=C/C)CCC.
What is the InChIKey of N-[(E)-3-ethenylhex-1-enyl]ethanimine?
The InChIKey is XRPODFNDQDMJEJ-LJOQIOMMSA-N. The full InChI is InChI=1S/C10H17N/c1-4-7-10(5-2)8-9-11-6-3/h5-6,8-10H,2,4,7H2,1,3H3/b9-8+,11-6+.
What are the key properties of N-[(E)-3-ethenylhex-1-enyl]ethanimine?
N-[(E)-3-ethenylhex-1-enyl]ethanimine has a molecular weight of 151.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-ethenylhex-1-enyl]ethanimine is sourced from PubChem (CID 89064164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).