5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C12H21F3N2O — CID 102706568

IUPAC5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(C)CC(F)(F)F)CC1N
InChIInChI=1S/C12H21F3N2O/c1-7-4-8(2)10(16)5-9(7)11(18)17(3)6-12(13,14)15/h7-10H,4-6,16H2,1-3H3
InChIKeyVZQCMVHLMBETCG-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.02
Rot. Bonds2

About 5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 102706568) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID102706568
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CC(C)C(C(=O)N(C)CC(F)(F)F)CC1N
InChIInChI=1S/C12H21F3N2O/c1-7-4-8(2)10(16)5-9(7)11(18)17(3)6-12(13,14)15/h7-10H,4-6,16H2,1-3H3
InChIKeyVZQCMVHLMBETCG-UHFFFAOYSA-N
XLogP2.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-2,4-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102706640
5-amino-N-(2-amino-2-oxoethyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706526
5-amino-N,2,4-trimethyl-N-propylcyclohexane-1-carboxamide
CID 102706518
2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976777
5-amino-N-(3-hydroxybutyl)-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706923
5-amino-N-[2-(diethylamino)-2-oxoethyl]-N,2,4-trimethylcyclohexane-1-carboxamide
CID 102706605
5-amino-N,2,4-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 102706607
cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091827
5-amino-N,2,4-trimethyl-N-[2-(2-methylpropylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 102706896
5-amino-2,4-dimethyl-N-propan-2-yl-N-propylcyclohexane-1-carboxamide
CID 102706516
N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 59961165
5-amino-N-butyl-N-(2-hydroxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706594

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 102706568) is 5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1CC(C)C(C(=O)N(C)CC(F)(F)F)CC1N.
What is the InChIKey of 5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is VZQCMVHLMBETCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-7-4-8(2)10(16)5-9(7)11(18)17(3)6-12(13,14)15/h7-10H,4-6,16H2,1-3H3.
What are the key properties of 5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 102706568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).