N-butyl-N-methyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
Basic information
- CAS
55396-79-7- Standard SMILES
CCCCN(C)C12CN3CN(CN(C3)C1)C2- InChIKey
ICDKARPLHDZECC-UHFFFAOYSA-N- Molecular formula
- C12H24N4
- Average molar mass
- 224.35 g/mol
- Monoisotopic mass
- 224.20009678
Names & identifiers
- Preferred name
- N-butyl-N-methyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
- IUPAC
- N-butyl-N-methyl-1,3,5-triazatricyclo[3.3.1.13,7]decan-7-amine
Names & synonyms
NSC28170255396-79-7SCHEMBL14058738DTXSID10330587NSC-281702N-Butyl-N-methyl-1,3,5-triazatricyclo[3.3.1.1~3,7~]decan-7-amine
Database identifiers
- CAS
55396-79-7- PubChem CID
- 430737
- DTXSID
DTXSID10330587
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 13 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 224
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Compound notes
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