2-Amino-3-methyl-1-(1-pyrrolidinyl)-1-butanone
Basic information
- CAS
54124-67-3- Standard SMILES
CC(C)C(N)C(=O)N1CCCC1- InChIKey
IHBAVXVTGLANPI-UHFFFAOYSA-N- Molecular formula
- C9H18N2O
- Average molar mass
- 170.25 g/mol
- Monoisotopic mass
- 170.1419132
Names & identifiers
- Preferred name
- 2-Amino-3-methyl-1-(1-pyrrolidinyl)-1-butanone
- IUPAC
- 2-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
- English name
- MFCD13562063
- Molecular formula
- C9H18N2O
- Molecular weight
- 170.25
Names & synonyms
54124-67-32-amino-3-methyl-1-(1-pyrrolidinyl)-1-ButanoneRefChem:2553882-AMINO-3-METHYL-1-(PYRROLIDIN-1-YL)BUTAN-1-ONECHEMBL16709[2-Methyl-1-(pyrrolidin-1-ylcarbonyl)propyl]amine hydrochloride3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-amine hydrochloride(S)-2-Amino-3-methyl-1-pyrrolidino-1-butanoneSCHEMBL1951493DTXSID401247764ALBB-022686ECA16407
Show more names
2-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one1-Butanone, 2-amino-3-methyl-1-(1-pyrrolidinyl)-
BDBM50118952AKOS000180650AB89073PD043191DB-071796EN300-36684[(1S)-2-methyl-1-(pyrrolidin-1-ylcarbonyl)propyl]amineF2147-1598
Database identifiers
- CAS
54124-67-3- PubChem CID
- 4470972
- DTXSID
DTXSID401247764- ChEMBL
CHEMBL16709- Nikkaji
- J1.412.280J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Boiling point
- 289.6 · 289.6±23.0 °C(Predicted)
- Density
- 1.031 · 1.031±0.06 g/cm3(Predicted)
- pka
- 8.72 · 8.72±0.33(Predicted)
Related reactions
2 records
Compound notes
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