N-ethenylprop-2-en-1-amine

C5H9N — CID 20794241

IUPACN-ethenylprop-2-en-1-amine
SMILESC=CCNC=C
InChIInChI=1S/C5H9N/c1-3-5-6-4-2/h3-4,6H,1-2,5H2
InChIKeyNBJBNKUHAFKHSM-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.91
Rot. Bonds3

About N-ethenylprop-2-en-1-amine

N-ethenylprop-2-en-1-amine (PubChem CID 20794241) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is N-ethenylprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethenylprop-2-en-1-amine
PubChem CID20794241
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC NameN-ethenylprop-2-en-1-amine
SMILESC=CCNC=C
InChIInChI=1S/C5H9N/c1-3-5-6-4-2/h3-4,6H,1-2,5H2
InChIKeyNBJBNKUHAFKHSM-UHFFFAOYSA-N
XLogP0.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethenylprop-2-en-1-amine 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-ethenylprop-2-en-1-amine?
The IUPAC name of N-ethenylprop-2-en-1-amine (CID 20794241) is N-ethenylprop-2-en-1-amine.
What is the SMILES notation for N-ethenylprop-2-en-1-amine?
The canonical SMILES for N-ethenylprop-2-en-1-amine is C=CCNC=C.
What is the InChIKey of N-ethenylprop-2-en-1-amine?
The InChIKey is NBJBNKUHAFKHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-3-5-6-4-2/h3-4,6H,1-2,5H2.
What are the key properties of N-ethenylprop-2-en-1-amine?
N-ethenylprop-2-en-1-amine has a molecular weight of 83.13 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylprop-2-en-1-amine is sourced from PubChem (CID 20794241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).