Basic information
- CAS
730-28-9- Standard SMILES
C(#CCN1CCCCCC1)CN1CCCCCC1- InChIKey
SPHPCGYXRFWXPR-UHFFFAOYSA-N- Molecular formula
- C16H28N2
- Average molar mass
- 248.41 g/mol
- Monoisotopic mass
- 248.2252489
Names & identifiers
- Preferred name
- 1-(4-(1-Azepanyl)-2-butynyl)azepane
- IUPAC
- 1-[4-(azepan-1-yl)but-2-ynyl]azepane
Names & synonyms
1-(4-(1-Azepanyl)-2-butynyl)azepaneAnti-T730-28-93HG052TF3IUNII-3HG052TF3INSC 407434NSC-407434DTXSID30223280HEXAMETHYLENIMINE, 1,1'-(2-BUTYNYLENE)DI-1,1'-(2-BUTYNE-1,4-DIYL)BIS(HEXAHYDRO-1H-AZEPINE)1H-AZEPINE, 1,1'-(2-BUTYNE-1,4-DIYL)BIS(HEXAHYDRO-RefChem:74378
Show more names
DTXCID30145771NSC4074341-[4-(azepan-1-yl)but-2-ynyl]azepaneSCHEMBL97331971,1'-(But-2-yne-1,4-diyl)bis(azepane)
Database identifiers
- CAS
730-28-9- PubChem CID
- 348247
- DTXSID
DTXSID30223280- UNII
- 3HG052TF3I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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