2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine

C15H26F3NO — CID 79928027

IUPAC2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine
SMILESCC1(C)CC(NC2CCC(C(F)(F)F)CC2)C(C)(C)O1
InChIInChI=1S/C15H26F3NO/c1-13(2)9-12(14(3,4)20-13)19-11-7-5-10(6-8-11)15(16,17)18/h10-12,19H,5-9H2,1-4H3
InChIKeyCMBBOULOZIJLIQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.04
Rot. Bonds2

About 2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine (PubChem CID 79928027) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine
PubChem CID79928027
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine
SMILESCC1(C)CC(NC2CCC(C(F)(F)F)CC2)C(C)(C)O1
InChIInChI=1S/C15H26F3NO/c1-13(2)9-12(14(3,4)20-13)19-11-7-5-10(6-8-11)15(16,17)18/h10-12,19H,5-9H2,1-4H3
InChIKeyCMBBOULOZIJLIQ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine (CID 79928027) is 2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine is CC1(C)CC(NC2CCC(C(F)(F)F)CC2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine?
The InChIKey is CMBBOULOZIJLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-13(2)9-12(14(3,4)20-13)19-11-7-5-10(6-8-11)15(16,17)18/h10-12,19H,5-9H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine has a molecular weight of 293.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[4-(trifluoromethyl)cyclohexyl]oxolan-3-amine is sourced from PubChem (CID 79928027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).