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

C13H23F3N2O — CID 76887112

IUPAC2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(C)(C)C(N)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-12(2,3)10(17)11(19)18-9-6-4-5-8(7-9)13(14,15)16/h8-10H,4-7,17H2,1-3H3,(H,18,19)
InChIKeyLPMLYKBODIRQLB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds2

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

2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 76887112) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID76887112
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(C)(C)C(N)C(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-12(2,3)10(17)11(19)18-9-6-4-5-8(7-9)13(14,15)16/h8-10H,4-7,17H2,1-3H3,(H,18,19)
InChIKeyLPMLYKBODIRQLB-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
(2S)-2-amino-N-cyclopropyl-3,3-dimethylbutanamide;hydrochloride
CID 66951838
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 62852011
N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
4-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 55517058
4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 81076103
(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61178090
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide
CID 146109434
1-cyclobutyl-2-methyl-3-[3-(trifluoromethyl)cyclohexyl]guanidine
CID 119153768
2-phenoxy-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 86920505
cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124833159
2-amino-N-(1,1-dioxothian-3-yl)-3,3-dimethylbutanamide
CID 77013077

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide (CID 76887112) is 2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide is CC(C)(C)C(N)C(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is LPMLYKBODIRQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-12(2,3)10(17)11(19)18-9-6-4-5-8(7-9)13(14,15)16/h8-10H,4-7,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 280.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 76887112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).