(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide

C13H23F3N2O — CID 61177900

IUPAC(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-8(2)7-10(17)12(19)18-11-6-4-3-5-9(11)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)/t9?,10-,11?/m0/s1
InChIKeyORLOVJFLQPKJBI-YVNMAJEFSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds4

About (2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide

(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 61177900) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID61177900
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCC(C)C[C@H](N)C(=O)NC1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2O/c1-8(2)7-10(17)12(19)18-11-6-4-3-5-9(11)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)/t9?,10-,11?/m0/s1
InChIKeyORLOVJFLQPKJBI-YVNMAJEFSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 103869669
(2S)-2-amino-4-methylsulfanyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61177899
4-amino-5-oxo-5-[[2-(trifluoromethyl)cyclohexyl]amino]pentanoic acid
CID 64895229
(2S)-2-amino-3,3-dimethyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 61178090
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
(2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide
CID 59921664
4-amino-3-methyl-N-[2-(trifluoromethyl)cyclohexyl]butanamide
CID 81076180
N-(2-methylpropyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43434483
2-amino-N-(2-tert-butylcyclohexyl)propanamide;hydrochloride
CID 119285417
(2S)-2-amino-N-[(1R)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxy-1-(1,3-thiazol-2-yl)propyl]cyclohexyl]-4-methylpentanamide
CID 22843384
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
CID 43699363

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of (2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide (CID 61177900) is (2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide is CC(C)C[C@H](N)C(=O)NC1CCCCC1C(F)(F)F.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is ORLOVJFLQPKJBI-YVNMAJEFSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-8(2)7-10(17)12(19)18-11-6-4-3-5-9(11)13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)/t9?,10-,11?/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide?
(2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 280.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[2-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 61177900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).