N-(3-Methylbutyl)-N-nitrosopropanamide
Basic information
- CAS
876499-76-2- Standard SMILES
CCC(=O)N(CCC(C)C)N=O- InChIKey
UYQHMTZNIKKDFW-UHFFFAOYSA-N- Molecular formula
- C8H16N2O2
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.12117776
Names & identifiers
- Preferred name
- N-(3-Methylbutyl)-N-nitrosopropanamide
- IUPAC
- N-(3-methylbutyl)-N-nitrosopropanamide
- English name
- Propionamide, N-isopentyl-N-nitroso- (5CI)
- Molecular formula
- C8H16N2O2
- Molecular weight
- 172.22484
Names & synonyms
876499-76-2N-(3-Methylbutyl)-N-nitrosopropanamideN-Isopentyl-N-nitrosopropionamidePropionamide, N-isopentyl-N-nitroso- (5CI)
Database identifiers
- CAS
876499-76-2- PubChem CID
- 76851973
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
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Compound notes
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