N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H23F3N2O — CID 115737763

IUPACN-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCC(N)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-2-4-11(17)8-18-12(19)9-5-3-6-10(7-9)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyABLOEEBPMPLYHP-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.60
Rot. Bonds5

About N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 115737763) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID115737763
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC NameN-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCCC(N)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O/c1-2-4-11(17)8-18-12(19)9-5-3-6-10(7-9)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyABLOEEBPMPLYHP-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

N-[2-(ethylamino)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119507185
N-(3-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 111461165
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 86823889
N-(5-hydroxy-4-methylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103861947
N-(4-bromopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106131544
2,2-dimethyl-3-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]propanoic acid
CID 81368776
N-(2,2-difluoro-3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104858222
N-(3-bromo-4-methoxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106244823
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60510595
N-(4-chlorobutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106845327
N-(6-hydroxyhexyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103918890
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 115737763) is N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is CCCC(N)CNC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is ABLOEEBPMPLYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-4-11(17)8-18-12(19)9-5-3-6-10(7-9)13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19).
What are the key properties of N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide 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 N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 115737763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).