2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide

C10H21N3O — CID 129093703

IUPAC2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide
SMILESC/N=C(\NC(C)C(=O)NC)C(C)(C)C
InChIInChI=1S/C10H21N3O/c1-7(8(14)11-5)13-9(12-6)10(2,3)4/h7H,1-6H3,(H,11,14)(H,12,13)
InChIKeyOUZDZDSBWFGMHC-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.78
Rot. Bonds2

About 2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide

2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide (PubChem CID 129093703) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide
PubChem CID129093703
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide
SMILESC/N=C(\NC(C)C(=O)NC)C(C)(C)C
InChIInChI=1S/C10H21N3O/c1-7(8(14)11-5)13-9(12-6)10(2,3)4/h7H,1-6H3,(H,11,14)(H,12,13)
InChIKeyOUZDZDSBWFGMHC-UHFFFAOYSA-N
XLogP0.78
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide 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 2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide (CID 129093703) is 2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide is C/N=C(\NC(C)C(=O)NC)C(C)(C)C.
What is the InChIKey of 2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide?
The InChIKey is OUZDZDSBWFGMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(8(14)11-5)13-9(12-6)10(2,3)4/h7H,1-6H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide?
2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide has a molecular weight of 199.30 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(C-tert-butyl-N-methylcarbonimidoyl)amino]-N-methylpropanamide is sourced from PubChem (CID 129093703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).