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

C11H19F3N2O — CID 113250164

IUPAC3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
SMILESCC(CC(N)=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-7(5-10(15)17)16-9-4-2-3-8(6-9)11(12,13)14/h7-9,16H,2-6H2,1H3,(H2,15,17)
InChIKeyILNHZDUXKMTHED-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.96
Rot. Bonds4

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

3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide (PubChem CID 113250164) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
PubChem CID113250164
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
SMILESCC(CC(N)=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O/c1-7(5-10(15)17)16-9-4-2-3-8(6-9)11(12,13)14/h7-9,16H,2-6H2,1H3,(H2,15,17)
InChIKeyILNHZDUXKMTHED-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

ethyl 2-[[3-(trifluoromethyl)cyclohexyl]amino]propanoate
CID 64760017
methyl (2R,3R)-3-hydroxy-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]butanoate
CID 99834927
N-pentan-2-yl-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747435
(2S)-N-[(2S)-butan-2-yl]-2-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 129430013
(2S)-N-[(2S)-butan-2-yl]-2-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]propanamide
CID 99626186
4-amino-3-methyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 81076103
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
3-[(4-hydroxycyclohexyl)amino]butanamide
CID 45281355
2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 76887112
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 62852011
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64917573
3-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 113492081

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide?
The IUPAC name of 3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide (CID 113250164) is 3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide.
What is the SMILES notation for 3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide?
The canonical SMILES for 3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide is CC(CC(N)=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide?
The InChIKey is ILNHZDUXKMTHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-7(5-10(15)17)16-9-4-2-3-8(6-9)11(12,13)14/h7-9,16H,2-6H2,1H3,(H2,15,17).
What are the key properties of 3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide?
3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide has a molecular weight of 252.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide is sourced from PubChem (CID 113250164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).