2-(2-methylprop-2-enylimino)ethanamine

C6H12N2 — CID 134408507

IUPAC2-(2-methylprop-2-enylimino)ethanamine
SMILESC=C(C)C/N=C/CN
InChIInChI=1S/C6H12N2/c1-6(2)5-8-4-3-7/h4H,1,3,5,7H2,2H3/b8-4+
InChIKeyTVJVKWBMQKTZOY-XBXARRHUSA-N
MW112.18 g/mol
LogP0.59
Rot. Bonds3

About 2-(2-methylprop-2-enylimino)ethanamine

2-(2-methylprop-2-enylimino)ethanamine (PubChem CID 134408507) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 2-(2-methylprop-2-enylimino)ethanamine.

Molecular Properties

Compound Name2-(2-methylprop-2-enylimino)ethanamine
PubChem CID134408507
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name2-(2-methylprop-2-enylimino)ethanamine
SMILESC=C(C)C/N=C/CN
InChIInChI=1S/C6H12N2/c1-6(2)5-8-4-3-7/h4H,1,3,5,7H2,2H3/b8-4+
InChIKeyTVJVKWBMQKTZOY-XBXARRHUSA-N
XLogP0.59
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-methylprop-2-enylimino)ethanamine 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-(2-methylprop-2-enylimino)ethanamine?
The IUPAC name of 2-(2-methylprop-2-enylimino)ethanamine (CID 134408507) is 2-(2-methylprop-2-enylimino)ethanamine.
What is the SMILES notation for 2-(2-methylprop-2-enylimino)ethanamine?
The canonical SMILES for 2-(2-methylprop-2-enylimino)ethanamine is C=C(C)C/N=C/CN.
What is the InChIKey of 2-(2-methylprop-2-enylimino)ethanamine?
The InChIKey is TVJVKWBMQKTZOY-XBXARRHUSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2)5-8-4-3-7/h4H,1,3,5,7H2,2H3/b8-4+.
What are the key properties of 2-(2-methylprop-2-enylimino)ethanamine?
2-(2-methylprop-2-enylimino)ethanamine has a molecular weight of 112.18 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enylimino)ethanamine is sourced from PubChem (CID 134408507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).