N-(1-aminoethyl)acetamide

C4H10N2O — CID 18315181

IUPACN-(1-aminoethyl)acetamide
SMILESCC(=O)NC(C)N
InChIInChI=1S/C4H10N2O/c1-3(5)6-4(2)7/h3H,5H2,1-2H3,(H,6,7)
InChIKeyFMZUWFBDSUDRLJ-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.57
Rot. Bonds1

About N-(1-aminoethyl)acetamide

N-(1-aminoethyl)acetamide (PubChem CID 18315181) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is N-(1-aminoethyl)acetamide.

Molecular Properties

Compound NameN-(1-aminoethyl)acetamide
PubChem CID18315181
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC NameN-(1-aminoethyl)acetamide
SMILESCC(=O)NC(C)N
InChIInChI=1S/C4H10N2O/c1-3(5)6-4(2)7/h3H,5H2,1-2H3,(H,6,7)
InChIKeyFMZUWFBDSUDRLJ-UHFFFAOYSA-N
XLogP-0.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1-aminoethyl)acetamide 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-(1-aminoethyl)acetamide?
The IUPAC name of N-(1-aminoethyl)acetamide (CID 18315181) is N-(1-aminoethyl)acetamide.
What is the SMILES notation for N-(1-aminoethyl)acetamide?
The canonical SMILES for N-(1-aminoethyl)acetamide is CC(=O)NC(C)N.
What is the InChIKey of N-(1-aminoethyl)acetamide?
The InChIKey is FMZUWFBDSUDRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c1-3(5)6-4(2)7/h3H,5H2,1-2H3,(H,6,7).
What are the key properties of N-(1-aminoethyl)acetamide?
N-(1-aminoethyl)acetamide has a molecular weight of 102.14 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethyl)acetamide is sourced from PubChem (CID 18315181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).