2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide

C12H21F3N2O — CID 43711805

IUPAC2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(C)C(N)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-7(2)10(16)11(18)17-9-5-3-4-8(6-9)12(13,14)15/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyVMDOOLBETQBMGB-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.21
Rot. Bonds3

About 2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide

2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 43711805) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID43711805
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(C)C(N)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O/c1-7(2)10(16)11(18)17-9-5-3-4-8(6-9)12(13,14)15/h7-10H,3-6,16H2,1-2H3,(H,17,18)
InChIKeyVMDOOLBETQBMGB-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide (CID 43711805) is 2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide is CC(C)C(N)C(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is VMDOOLBETQBMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-7(2)10(16)11(18)17-9-5-3-4-8(6-9)12(13,14)15/h7-10H,3-6,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 266.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 43711805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).