2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide

C13H23F3N2O — CID 65225132

IUPAC2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCCCC(CN)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-2-3-9(8-17)12(19)18-11-6-4-10(5-7-11)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyICPUMMAQOJVAHY-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds5

About 2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide

2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide (PubChem CID 65225132) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
PubChem CID65225132
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
SMILESCCCC(CN)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-2-3-9(8-17)12(19)18-11-6-4-10(5-7-11)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyICPUMMAQOJVAHY-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide
CID 54928386
2-(aminomethyl)-N-(1-propan-2-ylpiperidin-4-yl)pentanamide
CID 65224886
2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide
CID 65225560
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 62856040
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 61180289
2-(aminomethyl)-N-(2-methylcyclopropyl)pentanamide
CID 62397144
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)pentanamide
CID 79870952
2-(aminomethyl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide
CID 65225141
4-(2-propylpentanoylamino)cyclohexane-1-carboxylic acid
CID 82985549
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
CID 65228027
2-(aminomethyl)-N-[(1R)-1-cycloheptylethyl]pentanamide
CID 81393086
2-(aminomethyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 114629813

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide (CID 65225132) is 2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide is CCCC(CN)C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
The InChIKey is ICPUMMAQOJVAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-3-9(8-17)12(19)18-11-6-4-10(5-7-11)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide?
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide has a molecular weight of 280.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide is sourced from PubChem (CID 65225132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).