N-ethenylpropan-2-imine

C5H9N — CID 13099160

IUPACN-ethenylpropan-2-imine
SMILESC=CN=C(C)C
InChIInChI=1S/C5H9N/c1-4-6-5(2)3/h4H,1H2,2-3H3
InChIKeyYXWZSEICJDSRDN-UHFFFAOYSA-N
MW83.13 g/mol
LogP1.61
Rot. Bonds1

About N-ethenylpropan-2-imine

N-ethenylpropan-2-imine (PubChem CID 13099160) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is N-ethenylpropan-2-imine.

Molecular Properties

Compound NameN-ethenylpropan-2-imine
PubChem CID13099160
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC NameN-ethenylpropan-2-imine
SMILESC=CN=C(C)C
InChIInChI=1S/C5H9N/c1-4-6-5(2)3/h4H,1H2,2-3H3
InChIKeyYXWZSEICJDSRDN-UHFFFAOYSA-N
XLogP1.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethenylpropan-2-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 N-ethenylpropan-2-imine?
The IUPAC name of N-ethenylpropan-2-imine (CID 13099160) is N-ethenylpropan-2-imine.
What is the SMILES notation for N-ethenylpropan-2-imine?
The canonical SMILES for N-ethenylpropan-2-imine is C=CN=C(C)C.
What is the InChIKey of N-ethenylpropan-2-imine?
The InChIKey is YXWZSEICJDSRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-4-6-5(2)3/h4H,1H2,2-3H3.
What are the key properties of N-ethenylpropan-2-imine?
N-ethenylpropan-2-imine has a molecular weight of 83.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylpropan-2-imine is sourced from PubChem (CID 13099160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).