Basic information
- Standard SMILES
Cc1cnc(CN(CCCCN)Cc2ncccc2C(C)(C)O)c(C)c1- InChIKey
SAIQCSLLDXDYIR-UHFFFAOYSA-N- Molecular formula
- C21H32N4O
- Average molar mass
- 356.5 g/mol
Names & identifiers
- Preferred name
- 2-(2-{[(4-Amino-butyl)-(3,5-dimethyl-pyridin-2-ylmethyl)-amino]-methyl}-pyridin-3-yl)-propan-2-ol
- IUPAC
- 2-[2-[[4-aminobutyl-[(3,5-dimethyl-2-pyridinyl)methyl]amino]methyl]-3-pyridinyl]propan-2-ol
Names & synonyms
SCHEMBL2084907SAIQCSLLDXDYIR-UHFFFAOYSA-N2-(2-{[(4-Amino-butyl)-(3,5-dimethyl-pyridin-2-ylmethyl)-amino]-methyl}-pyridin-3-yl)-propan-2-ol
Database identifiers
- PubChem CID
- 58996989
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 403
Related reactions
3 records
Compound notes
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