Basic information
- CAS
497249-39-5- Standard SMILES
Cc1cc(N2CCCN(CCCN3CCCC3)CC2)ccc1N- InChIKey
LPDBPSCTXMJTAJ-UHFFFAOYSA-N- Molecular formula
- C19H32N4
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.26269704
Names & identifiers
- Preferred name
- 4-[Hexahydro-4-[3-(1-pyrrolidinyl)propyl]-1H-1,4-diazepin-1-yl]-2-methylbenzenamine
- IUPAC
- 2-methyl-4-[4-(3-pyrrolidin-1-ylpropyl)-1,4-diazepan-1-yl]aniline
Names & synonyms
SCHEMBL5203962DTXSID6011307074-[Hexahydro-4-[3-(1-pyrrolidinyl)propyl]-1H-1,4-diazepin-1-yl]-2-methylbenzenamine497249-39-52-Methyl-4-{4-[3-(pyrrolidin-1-yl)propyl]-1,4-diazepan-1-yl}aniline
Database identifiers
- CAS
497249-39-5- PubChem CID
- 58905832
- DTXSID
DTXSID601130707
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 35.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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