2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine

C7H11N — CID 89323000

IUPAC2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C)C
InChIInChI=1S/C7H11N/c1-6(2)5-8-7(3)4/h5H,1,3H2,2,4H3/b8-5+
InChIKeyXYCRJYAAIVUFCF-VMPITWQZSA-N
MW109.17 g/mol
LogP2.17
Rot. Bonds2

About 2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine

2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine (PubChem CID 89323000) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
PubChem CID89323000
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine
SMILESC=C(C)/C=N/C(=C)C
InChIInChI=1S/C7H11N/c1-6(2)5-8-7(3)4/h5H,1,3H2,2,4H3/b8-5+
InChIKeyXYCRJYAAIVUFCF-VMPITWQZSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-N-prop-1-en-2-ylprop-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 2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine?
The IUPAC name of 2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine (CID 89323000) is 2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine is C=C(C)/C=N/C(=C)C.
What is the InChIKey of 2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine?
The InChIKey is XYCRJYAAIVUFCF-VMPITWQZSA-N. The full InChI is InChI=1S/C7H11N/c1-6(2)5-8-7(3)4/h5H,1,3H2,2,4H3/b8-5+.
What are the key properties of 2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine?
2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine has a molecular weight of 109.17 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-1-en-2-ylprop-2-en-1-imine is sourced from PubChem (CID 89323000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).