2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine

C15H26F3NO — CID 43435246

IUPAC2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
SMILESCC1CCCCC1NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C15H26F3NO/c1-11-5-2-3-8-14(11)19-12-6-4-7-13(9-12)20-10-15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyUTRISSVMIUGKRO-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.04
Rot. Bonds4

About 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine

2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine (PubChem CID 43435246) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
PubChem CID43435246
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
SMILESCC1CCCCC1NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C15H26F3NO/c1-11-5-2-3-8-14(11)19-12-6-4-7-13(9-12)20-10-15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyUTRISSVMIUGKRO-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine (CID 43435246) is 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine is CC1CCCCC1NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
The InChIKey is UTRISSVMIUGKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-11-5-2-3-8-14(11)19-12-6-4-7-13(9-12)20-10-15(16,17)18/h11-14,19H,2-10H2,1H3.
What are the key properties of 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 43435246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).