2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide

C13H24F2N2O — CID 114223910

IUPAC2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCC1CCCC(F)(F)C1
InChIInChI=1S/C13H24F2N2O/c1-3-17(4-2)12(18)10-16-9-11-6-5-7-13(14,15)8-11/h11,16H,3-10H2,1-2H3
InChIKeyUQDRTVCDOFYGGM-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.27
Rot. Bonds6

About 2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide

2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide (PubChem CID 114223910) has the molecular formula C13H24F2N2O and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide
PubChem CID114223910
Molecular FormulaC13H24F2N2O
Molecular Weight262.34 g/mol
Exact Mass262.19
IUPAC Name2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNCC1CCCC(F)(F)C1
InChIInChI=1S/C13H24F2N2O/c1-3-17(4-2)12(18)10-16-9-11-6-5-7-13(14,15)8-11/h11,16H,3-10H2,1-2H3
InChIKeyUQDRTVCDOFYGGM-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cycloheptylmethylamino)-N,N-diethylacetamide
CID 113253458
N-[(3,3-difluorocyclohexyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 114223711
N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
CID 114223826
N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 114223863
3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol
CID 114224003
2-[[2-(diethylamino)-2-oxoethyl]amino]-N,N-diethylacetamide
CID 56638226
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide
CID 61212680
5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one
CID 114223835
1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine
CID 114223968
2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone
CID 114224600
3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829
2-[(3,3-difluorocyclohexyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114223959

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide (CID 114223910) is 2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNCC1CCCC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide?
The InChIKey is UQDRTVCDOFYGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O/c1-3-17(4-2)12(18)10-16-9-11-6-5-7-13(14,15)8-11/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide?
2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide has a molecular weight of 262.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 114223910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).