N-[2-amino-2-(methylamino)ethyl]acetamide

C5H13N3O — CID 139334679

IUPACN-[2-amino-2-(methylamino)ethyl]acetamide
SMILESCNC(N)CNC(C)=O
InChIInChI=1S/C5H13N3O/c1-4(9)8-3-5(6)7-2/h5,7H,3,6H2,1-2H3,(H,8,9)
InChIKeyZOIWFPXCUZYUJT-UHFFFAOYSA-N
MW131.18 g/mol
LogP-1.37
Rot. Bonds3

About N-[2-amino-2-(methylamino)ethyl]acetamide

N-[2-amino-2-(methylamino)ethyl]acetamide (PubChem CID 139334679) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is N-[2-amino-2-(methylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-2-(methylamino)ethyl]acetamide
PubChem CID139334679
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC NameN-[2-amino-2-(methylamino)ethyl]acetamide
SMILESCNC(N)CNC(C)=O
InChIInChI=1S/C5H13N3O/c1-4(9)8-3-5(6)7-2/h5,7H,3,6H2,1-2H3,(H,8,9)
InChIKeyZOIWFPXCUZYUJT-UHFFFAOYSA-N
XLogP-1.37
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-amino-2-(methylamino)ethyl]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-[2-amino-2-(methylamino)ethyl]acetamide?
The IUPAC name of N-[2-amino-2-(methylamino)ethyl]acetamide (CID 139334679) is N-[2-amino-2-(methylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-amino-2-(methylamino)ethyl]acetamide?
The canonical SMILES for N-[2-amino-2-(methylamino)ethyl]acetamide is CNC(N)CNC(C)=O.
What is the InChIKey of N-[2-amino-2-(methylamino)ethyl]acetamide?
The InChIKey is ZOIWFPXCUZYUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N3O/c1-4(9)8-3-5(6)7-2/h5,7H,3,6H2,1-2H3,(H,8,9).
What are the key properties of N-[2-amino-2-(methylamino)ethyl]acetamide?
N-[2-amino-2-(methylamino)ethyl]acetamide has a molecular weight of 131.18 g/mol, XLogP of -1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(methylamino)ethyl]acetamide is sourced from PubChem (CID 139334679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).