N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

C15H27F3N2O — CID 106285887

IUPACN-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCC(CC)C(N)CNC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2O/c1-3-10(4-2)13(19)9-20-14(21)11-5-7-12(8-6-11)15(16,17)18/h10-13H,3-9,19H2,1-2H3,(H,20,21)
InChIKeyYKZRVKWSGFXESF-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.23
Rot. Bonds6

About N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 106285887) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID106285887
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCCC(CC)C(N)CNC(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2O/c1-3-10(4-2)13(19)9-20-14(21)11-5-7-12(8-6-11)15(16,17)18/h10-13H,3-9,19H2,1-2H3,(H,20,21)
InChIKeyYKZRVKWSGFXESF-UHFFFAOYSA-N
XLogP3.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-3-ethylpentyl)cyclopentanecarboxamide
CID 106285963
N-(4-aminopentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106122324
3-methoxy-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]butanoic acid
CID 103152990
4-tert-butyl-N-(2-cyclopropyl-2-hydroxyethyl)cyclohexane-1-carboxamide
CID 63298695
4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657
N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 82721720
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
N-ethyl-4-(2,3,3-trimethylbutan-2-yl)cyclohexane-1-carboxamide
CID 139316795
2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butan-1-one
CID 105119465
N-(2-aminopentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115737763
N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide
CID 106288109
N-(2-bromo-3-ethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106288113

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 106285887) is N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is CCC(CC)C(N)CNC(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is YKZRVKWSGFXESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-3-10(4-2)13(19)9-20-14(21)11-5-7-12(8-6-11)15(16,17)18/h10-13H,3-9,19H2,1-2H3,(H,20,21).
What are the key properties of N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106285887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).