2-Pyridinemethanamine, N-((4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl)methyl)-
Basic information
- CAS
255383-00-7- Standard SMILES
c1ccc(CNCc2ccc(CN3CCNCCCCCCCNCC3)cc2)nc1- InChIKey
AVMFPLAFTONVSZ-UHFFFAOYSA-N- Molecular formula
- C25H39N5
- Average molar mass
- 409.6 g/mol
- Monoisotopic mass
- 409.32054627
Names & identifiers
- Preferred name
- 2-Pyridinemethanamine, N-((4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl)methyl)-
- IUPAC
- N-(pyridin-2-ylmethyl)-1-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine
Names & synonyms
AMD-7049255383-00-72-Pyridinemethanamine, N-((4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl)methyl)-UNII-4CX62N12T44CX62N12T4N-(pyridin-2-ylmethyl)-1-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine2-Pyridinemethanamine, N-[[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methyl]-AMD7049CHEMBL566386orb1698485SCHEMBL1535926AKOS040750396
Show more names
T29957Q27259418N-(2-pyridylmethyl)-1-[4-(1,4,7-triazacyclotetradec-4-ylmethyl)phenyl]methanamine
Database identifiers
- CAS
255383-00-7- PubChem CID
- 462935
- ChEMBL
CHEMBL566386- UNII
- 4CX62N12T4
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 396
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Compound notes
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