2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide

C12H22F2N2O — CID 106593084

IUPAC2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(F)F)C1CCCC(N)C1
InChIInChI=1S/C12H22F2N2O/c1-8(9-4-3-5-10(15)6-9)12(17)16(2)7-11(13)14/h8-11H,3-7,15H2,1-2H3
InChIKeyUKGDIEYJGCYSST-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.86
Rot. Bonds4

About 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide

2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide (PubChem CID 106593084) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide
PubChem CID106593084
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC Name2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC(F)F)C1CCCC(N)C1
InChIInChI=1S/C12H22F2N2O/c1-8(9-4-3-5-10(15)6-9)12(17)16(2)7-11(13)14/h8-11H,3-7,15H2,1-2H3
InChIKeyUKGDIEYJGCYSST-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminocyclohexyl)-N-(cyclopentylmethyl)-N-methylpropanamide
CID 106592908
2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 106592894
2-(3-aminocyclohexyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106592896
2-(3-aminocyclohexyl)-N-(2-amino-2-oxoethyl)-N-cyclopentylpropanamide
CID 106592765
2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
CID 106592635
2-(3-aminocyclohexyl)-N,N-dibutylpropanamide
CID 106592670
2-(3-aminocyclohexyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]propanamide
CID 106592817
2-(3-aminocyclohexyl)-N-butyl-N-(2-hydroxyethyl)propanamide
CID 106592757
2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 106592776
2-(3-aminocyclohexyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 106593074
2-(3-aminocyclohexyl)-N-cyclopentylpropanamide
CID 106592608
tert-butyl 2-(3-aminocyclohexyl)propanoate
CID 163419841

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide?
The IUPAC name of 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide (CID 106593084) is 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide.
What is the SMILES notation for 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide?
The canonical SMILES for 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide is CC(C(=O)N(C)CC(F)F)C1CCCC(N)C1.
What is the InChIKey of 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide?
The InChIKey is UKGDIEYJGCYSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c1-8(9-4-3-5-10(15)6-9)12(17)16(2)7-11(13)14/h8-11H,3-7,15H2,1-2H3.
What are the key properties of 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide?
2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide has a molecular weight of 248.32 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclohexyl)-N-(2,2-difluoroethyl)-N-methylpropanamide is sourced from PubChem (CID 106593084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).