6-Amino-6-methylperhydro-1,4-diazepine
Basic information
- CAS
869482-93-9- Standard SMILES
CC1(N)CNCCNC1- InChIKey
HRDGOMXHINSUHC-UHFFFAOYSA-N- Molecular formula
- C6H15N3
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.12659749
Names & identifiers
- Preferred name
- 6-Amino-6-methylperhydro-1,4-diazepine
- IUPAC
- 6-methyl-1,4-diazepan-6-amine
Names & synonyms
6-amino-6-methylperhydro-1,4-diazepineRefChem:9138236-methyl-1,4-diazepan-6-amine869482-93-9SCHEMBL490935DTXSID60593766AKOS006342497AT38605
Database identifiers
- CAS
869482-93-9- PubChem CID
- 18436453
- DTXSID
DTXSID60593766- Nikkaji
- J2.707.814A
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.3
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Compound notes
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