N-Cyclopentyl-1-isopropylcycloheptanecarboxamide
Basic information
- CAS
56471-70-6- Standard SMILES
CC(C)C1(C(=O)NC2CCCC2)CCCCCC1- InChIKey
NUTMIYRXXQBCST-UHFFFAOYSA-N- Molecular formula
- C16H29NO
- Average molar mass
- 251.41 g/mol
- Monoisotopic mass
- 251.22491455
Names & identifiers
- Preferred name
- N-Cyclopentyl-1-isopropylcycloheptanecarboxamide
- IUPAC
- N-cyclopentyl-1-propan-2-ylcycloheptane-1-carboxamide
- English name
- N-cyclopentyl-1-isopropylcycloheptanecarboxamide
- Molecular formula
- C16H29NO
- Molecular weight
- 251.41
Names & synonyms
N-Cyclopentyl-1-isopropylcycloheptanecarboxamide56471-70-6EINECS 260-212-6F274JGU3RFN-cyclopentyl-1-(propan-2-yl)cycloheptane-1-carboxamideDTXSID70205025NUTMIYRXXQBCST-UHFFFAOYSA-NDB-321082NS00033528N-Cyclopentyl-1-(1-methylethyl)cycloheptanecarboxamideCycloheptanecarboxamide, N-cyclopentyl-1-(1-methylethyl)-
Database identifiers
- CAS
56471-70-6- PubChem CID
- 91885
- DTXSID
DTXSID70205025- UNII
- F274JGU3RF
- EC Number
- 260-212-6
- Nikkaji
- J296.692A
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 400.7 · 400.7±12.0 °C(Predicted)
- Density
- 0.96 · 0.96±0.1 g/cm3(Predicted)
- pka
- 16.12 · 16.12±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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