N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

C11H19F3N2O — CID 104621885

IUPACN-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CCN)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-16(7-6-15)10(17)8-4-2-3-5-9(8)11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyZIMRGUVGPSUJJY-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.77
Rot. Bonds3

About N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 104621885) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID104621885
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CCN)C(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-16(7-6-15)10(17)8-4-2-3-5-9(8)11(12,13)14/h8-9H,2-7,15H2,1H3
InChIKeyZIMRGUVGPSUJJY-UHFFFAOYSA-N
XLogP1.77
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-cyclobutyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 102873908
N-methyl-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106607311
N-(2-aminoethyl)-N-methylcyclooctanecarboxamide
CID 65019367
N-(2-hydroxyethyl)-N-propyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112684964
N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622417
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 114760359
N-(3-amino-2-methylpropyl)-N-ethyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104621891
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055
N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107492620
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carbonyl fluoride
CID 45081770
N-(3-aminopropyl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107174467
N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 112701336

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 104621885) is N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is CN(CCN)C(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is ZIMRGUVGPSUJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-16(7-6-15)10(17)8-4-2-3-5-9(8)11(12,13)14/h8-9H,2-7,15H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 104621885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).