N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide

C12H21F3N2O — CID 59970268

IUPACN-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide
SMILESCC1(C)C[C@H](N)C[C@](C)(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-10(2)4-8(16)5-11(3,6-10)7-17-9(18)12(13,14)15/h8H,4-7,16H2,1-3H3,(H,17,18)/t8-,11-/m0/s1
InChIKeyKBBYIRNHBLYCPL-KWQFWETISA-N
MW266.31 g/mol
LogP2.21
Rot. Bonds2

About N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide

N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 59970268) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide
PubChem CID59970268
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide
SMILESCC1(C)C[C@H](N)C[C@](C)(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-10(2)4-8(16)5-11(3,6-10)7-17-9(18)12(13,14)15/h8H,4-7,16H2,1-3H3,(H,17,18)/t8-,11-/m0/s1
InChIKeyKBBYIRNHBLYCPL-KWQFWETISA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 304852
2-methyl-N-({1,3,3-trimethyl-5-[(2-methylpropanoyl)amino]cyclohexyl}methyl)propanamide
CID 4122522
3,3,3-trifluoro-N-(4-methylcyclohexyl)propanamide
CID 45806657
Trifluoroacetamide, N-(1-cyclohexylethyl)
CID 529467
2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 60727758
N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide
CID 134967146
2,2,2-trifluoro-N-(4,6,6-trimethylheptyl)acetamide
CID 162406542
2,2,2-trifluoro-N-({1,3,3-trimethyl-5-[(trifluoroacetyl)amino]cyclohexyl}methyl)acetamide
CID 2932402
2,2,3,3,4,4,4-heptafluoro-N-(3-{[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]methyl}-3,5,5-trimethylcyclohexyl)butanamide
CID 4258742
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroacetamide
CID 14598684
N-(1-fluoro-2,2,4-trimethylheptan-3-yl)acetamide
CID 57275756
fluoromethyl N-[3-(acetamidomethyl)-3,5,5-trimethylcyclohexyl]carbamate
CID 57553317

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide (CID 59970268) is N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide is CC1(C)C[C@H](N)C[C@](C)(CNC(=O)C(F)(F)F)C1.
What is the InChIKey of N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide?
The InChIKey is KBBYIRNHBLYCPL-KWQFWETISA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-10(2)4-8(16)5-11(3,6-10)7-17-9(18)12(13,14)15/h8H,4-7,16H2,1-3H3,(H,17,18)/t8-,11-/m0/s1.
What are the key properties of N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide?
N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 266.31 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59970268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).