2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide

C13H23F3N2O — CID 54928386

IUPAC2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide
SMILESCCCCC(N)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-2-3-4-11(17)12(19)18-10-7-5-9(6-8-10)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyGQAQNCZIRBIULO-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.74
Rot. Bonds5

About 2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide

2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide (PubChem CID 54928386) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide
PubChem CID54928386
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide
SMILESCCCCC(N)C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-2-3-4-11(17)12(19)18-10-7-5-9(6-8-10)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyGQAQNCZIRBIULO-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-cycloheptylhexanamide
CID 103830902
2-(aminomethyl)-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 65225132
(2S)-2-amino-N-(3-tricyclo[3.2.1.02,4]octanyl)hexanamide
CID 113304839
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 61180289
(2S)-2-amino-N-(3,4-dimethylcyclohexyl)hexanamide
CID 107145708
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]butanamide
CID 62856040
2-amino-N-(oxolan-3-yl)hexanamide
CID 80713232
2-amino-N-(4-aminocyclohexyl)pentanamide
CID 62319442
(2S,3S)-3-amino-N-cyclopropyl-2-hydroxyheptanamide
CID 50914002
N-hexan-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 43788012
2-amino-N-(4-propan-2-ylcyclohexyl)pentanamide
CID 119339852

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide?
The IUPAC name of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide (CID 54928386) is 2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide.
What is the SMILES notation for 2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide?
The canonical SMILES for 2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide is CCCCC(N)C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide?
The InChIKey is GQAQNCZIRBIULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-3-4-11(17)12(19)18-10-7-5-9(6-8-10)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide?
2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide has a molecular weight of 280.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(trifluoromethyl)cyclohexyl]hexanamide is sourced from PubChem (CID 54928386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).