4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

C13H24F3N — CID 58395319

IUPAC4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCN(CC(F)(F)F)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H24F3N/c1-12(2,3)10-5-7-11(8-6-10)17(4)9-13(14,15)16/h10-11H,5-9H2,1-4H3
InChIKeyBMIISXPDYDTARY-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.09
Rot. Bonds2

About 4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine

4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (PubChem CID 58395319) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
PubChem CID58395319
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
SMILESCN(CC(F)(F)F)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H24F3N/c1-12(2,3)10-5-7-11(8-6-10)17(4)9-13(14,15)16/h10-11H,5-9H2,1-4H3
InChIKeyBMIISXPDYDTARY-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanamine, 4-(1,1-dimethylethyl)-N,N-dimethyl-
CID 3785266
4-tert-butyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 29051448
4-fluoro-1-[(1S)-3,3,4-trimethylcyclohexyl]piperidine
CID 57862951
4-Fluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58386347
N,4-dimethyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 58395110
4,4-Difluoro-1-(4-propan-2-ylcyclohexyl)piperidine
CID 58395152
1-(4-Tert-butylcyclohexyl)-4,4-difluoropiperidine
CID 58395236
(3R)-3-fluoro-1-(4-propan-2-ylcyclohexyl)pyrrolidine
CID 68067725
(3S)-3-fluoro-1-(4-propan-2-ylcyclohexyl)pyrrolidine
CID 68067733
N-butyl-4-methyl-N-(trifluoromethyl)cyclohexan-1-amine
CID 69760709
4-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine
CID 69972758
4-fluoro-1-[(1R)-3,3,4-trimethylcyclohexyl]piperidine
CID 71188359

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine (CID 58395319) is 4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is CN(CC(F)(F)F)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
The InChIKey is BMIISXPDYDTARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-12(2,3)10-5-7-11(8-6-10)17(4)9-13(14,15)16/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine?
4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine is sourced from PubChem (CID 58395319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).