2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C14H26F3N3O — CID 61492175

IUPAC2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCC(CNCC(=O)NCC(F)(F)F)(N(C)C)C1
InChIInChI=1S/C14H26F3N3O/c1-11-5-4-6-13(7-11,20(2)3)9-18-8-12(21)19-10-14(15,16)17/h11,18H,4-10H2,1-3H3,(H,19,21)
InChIKeySAQGLDLMBCSYLJ-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.76
Rot. Bonds6

About 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61492175) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61492175
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC1CCCC(CNCC(=O)NCC(F)(F)F)(N(C)C)C1
InChIInChI=1S/C14H26F3N3O/c1-11-5-4-6-13(7-11,20(2)3)9-18-8-12(21)19-10-14(15,16)17/h11,18H,4-10H2,1-3H3,(H,19,21)
InChIKeySAQGLDLMBCSYLJ-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
tert-butyl 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]acetate
CID 61212863
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N,N-diethylacetamide
CID 61212680
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924304
2-amino-N-[2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 61211937
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79039779
N,N,3-trimethyl-1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclohexan-1-amine
CID 61490311
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide
CID 62668555
3-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]butanamide
CID 61210809
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]cyclobutane-1-carboxylic acid
CID 103243177
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3,3-dimethylbutanamide
CID 76895695

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 61492175) is 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CC1CCCC(CNCC(=O)NCC(F)(F)F)(N(C)C)C1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is SAQGLDLMBCSYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-11-5-4-6-13(7-11,20(2)3)9-18-8-12(21)19-10-14(15,16)17/h11,18H,4-10H2,1-3H3,(H,19,21).
What are the key properties of 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 309.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylcyclohexyl]methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61492175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).