2-{Methyl[2-(methylamino)ethyl]amino}pentan-3-one
Basic information
- CAS
1341342-34-4- Standard SMILES
CCC(=O)C(C)N(C)CCNC- InChIKey
LJBWYQOYOHYOJD-UHFFFAOYSA-N- Molecular formula
- C9H20N2O
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.15756327
Names & identifiers
- Preferred name
- 2-{Methyl[2-(methylamino)ethyl]amino}pentan-3-one
- IUPAC
- 2-[methyl-[2-(methylamino)ethyl]amino]pentan-3-one
Names & synonyms
DTXSID201223269AKOS0141960332-{Methyl[2-(methylamino)ethyl]amino}pentan-3-one3-Pentanone, 2-[methyl[2-(methylamino)ethyl]amino]-1341342-34-4
Database identifiers
- CAS
1341342-34-4- PubChem CID
- 64866716
- DTXSID
DTXSID201223269
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 136
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Compound notes
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