N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide

C8H15N3O — CID 88746678

IUPACN-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC/C=N/CCN
InChIInChI=1S/C8H15N3O/c1-7(2)8(12)11-6-5-10-4-3-9/h5H,1,3-4,6,9H2,2H3,(H,11,12)/b10-5+
InChIKeyNHHSWOXDBBKPNH-BJMVGYQFSA-N
MW169.23 g/mol
LogP-0.29
Rot. Bonds5

About N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide

N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide (PubChem CID 88746678) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide
PubChem CID88746678
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC/C=N/CCN
InChIInChI=1S/C8H15N3O/c1-7(2)8(12)11-6-5-10-4-3-9/h5H,1,3-4,6,9H2,2H3,(H,11,12)/b10-5+
InChIKeyNHHSWOXDBBKPNH-BJMVGYQFSA-N
XLogP-0.29
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide 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-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide (CID 88746678) is N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC/C=N/CCN.
What is the InChIKey of N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide?
The InChIKey is NHHSWOXDBBKPNH-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(2)8(12)11-6-5-10-4-3-9/h5H,1,3-4,6,9H2,2H3,(H,11,12)/b10-5+.
What are the key properties of N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide?
N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide has a molecular weight of 169.23 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylimino)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 88746678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).