tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid

C14H25F3N2O2 — CID 146472186

IUPACtert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid
SMILESCN(C)C1CC(C(F)(F)F)CCC1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)19(12(20)21)10-7-6-9(14(15,16)17)8-11(10)18(4)5/h9-11H,6-8H2,1-5H3,(H,20,21)
InChIKeyWNRWWOFEZFUDCF-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.43
Rot. Bonds2

About tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid

tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid (PubChem CID 146472186) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid
PubChem CID146472186
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Nametert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid
SMILESCN(C)C1CC(C(F)(F)F)CCC1N(C(=O)O)C(C)(C)C
InChIInChI=1S/C14H25F3N2O2/c1-13(2,3)19(12(20)21)10-7-6-9(14(15,16)17)8-11(10)18(4)5/h9-11H,6-8H2,1-5H3,(H,20,21)
InChIKeyWNRWWOFEZFUDCF-UHFFFAOYSA-N
XLogP3.43
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-amino-4-(trifluoromethyl)cyclohexyl]-tert-butylcarbamic acid
CID 146472128
tert-butyl-[(1S,2S,4R)-2-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]cyclohexyl]carbamic acid
CID 146472147
tert-butyl-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
CID 118512779
tert-butyl-[(1R,2S,4S)-2-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 67035009
4-tert-butyl-2-(dimethylamino)cyclohexane-1-carboxylic acid
CID 63068566
tert-butyl-[(1R,2S)-2-hydroxycyclohexyl]carbamic acid
CID 69297604
(1R,2R,4R)-2-N-ethyl-1-N,1-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 146524937
(1R,2R,4R)-1-N-ethyl-2-N,2-N-dimethyl-4-(trifluoromethyl)cyclohexane-1,2-diamine
CID 134438157
tert-butyl-[(1R,3S)-3-fluorocyclopentyl]carbamic acid
CID 166789898
2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid
CID 84736757
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555
tert-butyl-(2,5-dimethyloxolan-3-yl)carbamic acid
CID 118638510

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid?
The IUPAC name of tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid (CID 146472186) is tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid.
What is the SMILES notation for tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid?
The canonical SMILES for tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid is CN(C)C1CC(C(F)(F)F)CCC1N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid?
The InChIKey is WNRWWOFEZFUDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-13(2,3)19(12(20)21)10-7-6-9(14(15,16)17)8-11(10)18(4)5/h9-11H,6-8H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid?
tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid has a molecular weight of 310.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-(dimethylamino)-4-(trifluoromethyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 146472186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).