N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C15H26F3NO — CID 43435232

IUPACN-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCC2CCCCC2)C1
InChIInChI=1S/C15H26F3NO/c16-15(17,18)11-20-14-8-4-7-13(9-14)19-10-12-5-2-1-3-6-12/h12-14,19H,1-11H2
InChIKeyDMCMDJGSWWCRTD-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.05
Rot. Bonds5

About N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43435232) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43435232
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESFC(F)(F)COC1CCCC(NCC2CCCCC2)C1
InChIInChI=1S/C15H26F3NO/c16-15(17,18)11-20-14-8-4-7-13(9-14)19-10-12-5-2-1-3-6-12/h12-14,19H,1-11H2
InChIKeyDMCMDJGSWWCRTD-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43435232) is N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is FC(F)(F)COC1CCCC(NCC2CCCCC2)C1.
What is the InChIKey of N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is DMCMDJGSWWCRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c16-15(17,18)11-20-14-8-4-7-13(9-14)19-10-12-5-2-1-3-6-12/h12-14,19H,1-11H2.
What are the key properties of N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43435232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).