1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C12H21F3N2O — CID 60947116

IUPAC1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1(N)CCCCC1
InChIInChI=1S/C12H21F3N2O/c1-9(2)17(8-12(13,14)15)10(18)11(16)6-4-3-5-7-11/h9H,3-8,16H2,1-2H3
InChIKeyXHNOVEFEPUYYQU-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.45
Rot. Bonds3

About 1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 60947116) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID60947116
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C1(N)CCCCC1
InChIInChI=1S/C12H21F3N2O/c1-9(2)17(8-12(13,14)15)10(18)11(16)6-4-3-5-7-11/h9H,3-8,16H2,1-2H3
InChIKeyXHNOVEFEPUYYQU-UHFFFAOYSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 54872186
3-[(1-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid
CID 61161466
1-amino-N-(cyclopropylmethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 55000242
1-amino-N-propan-2-yl-N-propylcyclobutane-1-carboxamide
CID 81179596
1-amino-N-(1-cyclopropylethyl)-3-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 64549410
3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 63131759
1-amino-N-propan-2-yl-N-propylcyclopropane-1-carboxamide
CID 65466563
1-amino-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 60947085
1-amino-N-butan-2-yl-N-ethylcyclobutane-1-carboxamide
CID 81178764
1-[2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexan-1-amine
CID 64682252
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 60770828
2,2,2-trifluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 64592645

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 60947116) is 1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CC(C)N(CC(F)(F)F)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is XHNOVEFEPUYYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(2)17(8-12(13,14)15)10(18)11(16)6-4-3-5-7-11/h9H,3-8,16H2,1-2H3.
What are the key properties of 1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60947116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).