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

C11H19F3N2O — CID 54924277

IUPAC3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(N)CC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7(15)6-10(17)16-9-5-3-2-4-8(9)11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyNHPSRLXKPJBRMG-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.96
Rot. Bonds3

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

3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 54924277) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID54924277
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide
SMILESCC(N)CC(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-7(15)6-10(17)16-9-5-3-2-4-8(9)11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17)
InChIKeyNHPSRLXKPJBRMG-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methylcyclohexane-1-carboxamide
CID 13697510
3,3,3-trifluoro-N-(4-methylcyclohexyl)propanamide
CID 45806657
Trifluoroacetamide, N-(1-cyclohexylethyl)
CID 529467
2,2,2-trifluoro-N-(4-methylcyclohexyl)acetamide
CID 13811892
2,2-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 60727758
N-[(2S)-4-cyclohexyl-1,1,1-trifluorobutan-2-yl]acetamide
CID 134967146
Tetradecahydro-1H-1,8-benzodiazacycloundecan-9-one
CID 110201224
3,3-dimethyl-N-(2-methylcyclohexyl)butanamide
CID 4475477
N-[4-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexyl]acetamide
CID 86793835
3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide
CID 91659607
(3S)-3-cyclohexyl-3-(2,2,2-trifluoroethylamino)propanamide
CID 97353412
N-butan-2-yl-2-[[3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 121515902

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide (CID 54924277) is 3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide is CC(N)CC(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of 3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is NHPSRLXKPJBRMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7(15)6-10(17)16-9-5-3-2-4-8(9)11(12,13)14/h7-9H,2-6,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide?
3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 252.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 54924277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).