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

C15H26F3NO — CID 43435245

IUPAC3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
SMILESCC1CCCC(NC2CCCC(OCC(F)(F)F)C2)C1
InChIInChI=1S/C15H26F3NO/c1-11-4-2-5-12(8-11)19-13-6-3-7-14(9-13)20-10-15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyKLKKCIRUZIYACQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.04
Rot. Bonds4

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

3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine (PubChem CID 43435245) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
PubChem CID43435245
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
SMILESCC1CCCC(NC2CCCC(OCC(F)(F)F)C2)C1
InChIInChI=1S/C15H26F3NO/c1-11-4-2-5-12(8-11)19-13-6-3-7-14(9-13)20-10-15(16,17)18/h11-14,19H,2-10H2,1H3
InChIKeyKLKKCIRUZIYACQ-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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Related Compounds

N-Cyclohexyl-4-[(2,2,2-trifluoroethoxy)methyl]cyclohexan-1-amine
CID 67483668
2-fluoro-3-methoxy-N-methyl-5-(trifluoromethyl)cyclohexan-1-amine
CID 123845300
3-Cyclohexyloxy-5-(trifluoromethyl)cyclohexan-1-amine
CID 141735010
4,4-difluoro-N-(3-methoxycyclohexyl)cyclohexan-1-amine
CID 170209594
N-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435226
N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435232
N-(2-ethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435233
N-butyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435241
N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435243
2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
CID 43435246
N-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435247
N-cyclohexyl-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435249

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine (CID 43435245) is 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine is CC1CCCC(NC2CCCC(OCC(F)(F)F)C2)C1.
What is the InChIKey of 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
The InChIKey is KLKKCIRUZIYACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-11-4-2-5-12(8-11)19-13-6-3-7-14(9-13)20-10-15(16,17)18/h11-14,19H,2-10H2,1H3.
What are the key properties of 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine?
3-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 3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 43435245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).