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

C10H17F3N2O — CID 62782165

IUPAC4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-6-4-7(14)2-3-8(6)9(16)15-5-10(11,12)13/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKeyMURNSNUFUVAQKI-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.43
Rot. Bonds2

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

4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 62782165) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID62782165
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-6-4-7(14)2-3-8(6)9(16)15-5-10(11,12)13/h6-8H,2-5,14H2,1H3,(H,15,16)
InChIKeyMURNSNUFUVAQKI-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-methylcyclohexane-1-carboxamide
CID 62782833
4-amino-2-methyl-N-[(2-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 55116865
4-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclohexane-1-carboxamide
CID 62782527
N-(2-amino-2-methylpropyl)-2-methylcyclopropane-1-carboxamide
CID 81483791
4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
CID 62782762
cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
CID 97068565
4-amino-2-methyl-N-(2-piperidin-1-ylethyl)cyclohexane-1-carboxamide
CID 62782757
(1S,2R,4R)-4-amino-2-methylcyclohexane-1-carboxylic acid
CID 162343513
4-amino-2-methyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62783252
2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977876
2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
4-amino-2-methyl-N-(2-methylcyclohexyl)cyclohexane-1-carboxamide
CID 62781647

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 62782165) is 4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC1CC(N)CCC1C(=O)NCC(F)(F)F.
What is the InChIKey of 4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is MURNSNUFUVAQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-6-4-7(14)2-3-8(6)9(16)15-5-10(11,12)13/h6-8H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 62782165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).