Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-
Basic information
- CAS
101831-96-3- Standard SMILES
c1ccc2c(CN3CCCCCCC3)c[nH]c2c1- InChIKey
KCXDIIFZTRAZDV-UHFFFAOYSA-N- Molecular formula
- C16H22N2
- Average molar mass
- 242.36 g/mol
- Monoisotopic mass
- 242.17829871
Names & identifiers
- Preferred name
- Indole, 3-(hexahydro-1(2H)-azocinylmethyl)-
- IUPAC
- 3-(azocan-1-ylmethyl)-1H-indole
Names & synonyms
101831-96-3INDOLE, 3-(HEXAHYDRO-1(2H)-AZOCINYLMETHYL)-3-(Heptamethyleneiminomethyl)indole3-(Hexahydro-1(2H)-azocinylmethyl)indoleDTXSID60144232RefChem:349252DTXCID20667233-(azocan-1-ylmethyl)-1H-indoleMLS0001053153-(1-azocanylmethyl)-1H-indole3-(1-azocanylmethyl)-1H-indole oxalateSMR000102196
Show more names
Cambridge id 5264591Oprea1_011596Oprea1_734905cid_58953REGID_for_CID_58953CHEMBL1346694BDBM38683HMS2428P08
Database identifiers
- CAS
101831-96-3- PubChem CID
- 58953
- DTXSID
DTXSID60144232- ChEMBL
CHEMBL1346694
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 245
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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