2-[[2-(Dimethylamino)ethyl]amino]-3-methylbutanenitrile
Basic information
- CAS
1248355-32-9- Standard SMILES
CC(C)C(C#N)NCCN(C)C- InChIKey
TXUZDPGKEHWUTN-UHFFFAOYSA-N- Molecular formula
- C9H19N3
- Average molar mass
- 169.27 g/mol
- Monoisotopic mass
- 169.15789762
Names & identifiers
- Preferred name
- 2-[[2-(Dimethylamino)ethyl]amino]-3-methylbutanenitrile
- IUPAC
- 2-[2-(dimethylamino)ethylamino]-3-methylbutanenitrile
Names & synonyms
2-[[2-(Dimethylamino)ethyl]amino]-3-methylbutanenitrile2-{[2-(Dimethylamino)ethyl]amino}-3-methylbutanenitrileDTXSID701205032AKOS0105717431248355-32-9
Database identifiers
- CAS
1248355-32-9- PubChem CID
- 61317485
- DTXSID
DTXSID701205032
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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