N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide

C12H21F3N2O — CID 81486060

IUPACN-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
SMILESNCC(NC(=O)CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)7-6-11(18)17-10(8-16)9-4-2-1-3-5-9/h9-10H,1-8,16H2,(H,17,18)
InChIKeyBJJJNROFAYHXEE-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.35
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide

N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide (PubChem CID 81486060) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
PubChem CID81486060
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC NameN-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide
SMILESNCC(NC(=O)CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H21F3N2O/c13-12(14,15)7-6-11(18)17-10(8-16)9-4-2-1-3-5-9/h9-10H,1-8,16H2,(H,17,18)
InChIKeyBJJJNROFAYHXEE-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 106737712
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
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N-(2-amino-1-cyclopentylethyl)-2,2,2-trifluoroacetamide
CID 106737372
N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
CID 122080634
N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide
CID 119592153
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-3-cyclopentylpropanamide;hydrochloride
CID 119589621
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
N-(2-amino-1-cyclohexylethyl)-3-phenylpropanamide;hydrochloride
CID 119260925
2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoacetic acid
CID 119035659
N-(2-amino-1-cyclopentylethyl)-2-(dimethylamino)acetamide
CID 106737390
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluoro-3-phenylbutanamide
CID 119590512

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide (CID 81486060) is N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide is NCC(NC(=O)CCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide?
The InChIKey is BJJJNROFAYHXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c13-12(14,15)7-6-11(18)17-10(8-16)9-4-2-1-3-5-9/h9-10H,1-8,16H2,(H,17,18).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide?
N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide has a molecular weight of 266.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 81486060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).