N-[4-(Propan-2-yl)cyclohexyl]cycloheptanamine

Substructure search Find similar structures

Basic information

CAS: 920280-65-5
Standard SMILES: CC(C)C1CCC(NC2CCCCCC2)CC1
InChIKey: VETXGRJDZRCNRT-UHFFFAOYSA-N
Molecular formula: C16H31N
Average molar mass: 237.42 g/mol
Monoisotopic mass: 237.24564999

Names & identifiers

Preferred name: N-[4-(Propan-2-yl)cyclohexyl]cycloheptanamine
IUPAC: N-(4-propan-2-ylcyclohexyl)cycloheptanamine

Names & synonyms

920280-65-5N-[4-(Propan-2-yl)cyclohexyl]cycloheptanamineSCHEMBL2650354SCHEMBL2650357DTXSID90734589VETXGRJDZRCNRT-KOMQPUFPSA-NAKOS012727606cycloheptyl-(trans-4-isopropyl-cyclohexyl)-amine

Database identifiers

CAS: 920280-65-5
PubChem CID: 63420331
DTXSID: DTXSID90734589

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 196

Related reactions

1 records

New reaction record

HRID 167427As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

Loading…