5-((1-Phenylcyclohexyl)amino)pentanoic acid
Basic information
- CAS
77160-83-9- Standard SMILES
O=C(O)CCCCNC1(c2ccccc2)CCCCC1- InChIKey
RZGZMLICFFEUIQ-UHFFFAOYSA-N- Molecular formula
- C17H25NO2
- Average molar mass
- 275.4 g/mol
- Monoisotopic mass
- 275.18852904
Overview
5-[(1-phenylcyclohexyl)amino]pentanoic acid is a fatty acid derivative consisting of valeric acid substituted at C-5 with an N-(1-phenylcyclohexyl)amino group. It has a role as a metabolite. It is a secondary amino compound and a fatty acid derivative. It is functionally related to a valeric acid.
Names & identifiers
- Preferred name
- 5-((1-Phenylcyclohexyl)amino)pentanoic acid
- IUPAC
- 5-[(1-phenylcyclohexyl)amino]pentanoic acid
- English name
- 5-(N-(1'-phenylcyclohexyl)amino)pentanoic acid
- Molecular formula
- C17H25NO2
- Molecular weight
- 275.39
Names & synonyms
5-Pchap5-[(1-phenylcyclohexyl)amino]pentanoic acid77160-83-95-(1-Phenylcyclohexylamino)valeric acidBL9SJ9WN2A5-(N-(1'-Phenylcyclohexyl)amino)pentanoic acidCHEBI:63596DTXSID30227920Pentanoic acid, 5-((1-phenylcyclohexyl)amino)-5-[N-(1'-phenylcyclohexyl)amino]pentanoic acidPentanoic acid, 5-[(1-phenylcyclohexyl)amino]-5-((1-PHENYLCYCLOHEXYL)AMINO)PENTANOIC ACID
Show more names
RefChem:101494DTXCID80150411PCHPUNII-BL9SJ9WN2ACHEMBL358900SCHEMBL1261302PHENCYCLIDINE METABOLITE M75-[N-(1-phenylcyclohexyl)]aminovaleric acid
Database identifiers
- CAS
77160-83-9- PubChem CID
- 173576
- DTXSID
DTXSID30227920- ChEMBL
CHEMBL358900- ChEBI
CHEBI:63596- UNII
- BL9SJ9WN2A
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Boiling point
- 444.1 · 444.1±38.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 4.6 · 4.60±0.10(Predicted)
- FDA UNII
- 9 SJ9WN2A · BL9SJ9WN2A
Chemistry & industry
Additional notes
DefinitionChEBI: A fatty acid derivative consisting of valeric acid substituted at C-5 with an N-(1-phenylcyclohexyl)amino group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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