1-cyclopropyl-N-methylprop-2-en-1-imine

C7H11N — CID 130440573

IUPAC1-cyclopropyl-N-methylprop-2-en-1-imine
SMILESC=C/C(=N\C)C1CC1
InChIInChI=1S/C7H11N/c1-3-7(8-2)6-4-5-6/h3,6H,1,4-5H2,2H3/b8-7+
InChIKeyDBICSECAYOBUDH-BQYQJAHWSA-N
MW109.17 g/mol
LogP1.65
Rot. Bonds2

About 1-cyclopropyl-N-methylprop-2-en-1-imine

1-cyclopropyl-N-methylprop-2-en-1-imine (PubChem CID 130440573) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-cyclopropyl-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name1-cyclopropyl-N-methylprop-2-en-1-imine
PubChem CID130440573
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-cyclopropyl-N-methylprop-2-en-1-imine
SMILESC=C/C(=N\C)C1CC1
InChIInChI=1S/C7H11N/c1-3-7(8-2)6-4-5-6/h3,6H,1,4-5H2,2H3/b8-7+
InChIKeyDBICSECAYOBUDH-BQYQJAHWSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-methylprop-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methylprop-2-en-1-imine?
The IUPAC name of 1-cyclopropyl-N-methylprop-2-en-1-imine (CID 130440573) is 1-cyclopropyl-N-methylprop-2-en-1-imine.
What is the SMILES notation for 1-cyclopropyl-N-methylprop-2-en-1-imine?
The canonical SMILES for 1-cyclopropyl-N-methylprop-2-en-1-imine is C=C/C(=N\C)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methylprop-2-en-1-imine?
The InChIKey is DBICSECAYOBUDH-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7(8-2)6-4-5-6/h3,6H,1,4-5H2,2H3/b8-7+.
What are the key properties of 1-cyclopropyl-N-methylprop-2-en-1-imine?
1-cyclopropyl-N-methylprop-2-en-1-imine has a molecular weight of 109.17 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methylprop-2-en-1-imine is sourced from PubChem (CID 130440573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).