N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine

C12H19N — CID 155052675

IUPACN-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine
SMILESC=C/C(CCC)=N\C=C\C1CC1C
InChIInChI=1S/C12H19N/c1-4-6-12(5-2)13-8-7-11-9-10(11)3/h5,7-8,10-11H,2,4,6,9H2,1,3H3/b8-7+,13-12+
InChIKeyGKQKJHIBRGQLJG-GEJAPMDVSA-N
MW177.29 g/mol
LogP3.58
Rot. Bonds5

About N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine

N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine (PubChem CID 155052675) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine.

Molecular Properties

Compound NameN-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine
PubChem CID155052675
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine
SMILESC=C/C(CCC)=N\C=C\C1CC1C
InChIInChI=1S/C12H19N/c1-4-6-12(5-2)13-8-7-11-9-10(11)3/h5,7-8,10-11H,2,4,6,9H2,1,3H3/b8-7+,13-12+
InChIKeyGKQKJHIBRGQLJG-GEJAPMDVSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine?
The IUPAC name of N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine (CID 155052675) is N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine.
What is the SMILES notation for N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine?
The canonical SMILES for N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine is C=C/C(CCC)=N\C=C\C1CC1C.
What is the InChIKey of N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine?
The InChIKey is GKQKJHIBRGQLJG-GEJAPMDVSA-N. The full InChI is InChI=1S/C12H19N/c1-4-6-12(5-2)13-8-7-11-9-10(11)3/h5,7-8,10-11H,2,4,6,9H2,1,3H3/b8-7+,13-12+.
What are the key properties of N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine?
N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine has a molecular weight of 177.29 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2-methylcyclopropyl)ethenyl]hex-1-en-3-imine is sourced from PubChem (CID 155052675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).