4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C13H24F3N3O — CID 139374702

IUPAC4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCNC1(N(C)C)CCC(C(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-17-12(18(2)3)7-5-10(6-8-12)11(20)19(4)9-13(14,15)16/h10,17H,5-9H2,1-4H3
InChIKeyRIMZSSBCSUDBDC-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.67
Rot. Bonds4

About 4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 139374702) has the molecular formula C13H24F3N3O and a molecular weight of 295.35 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID139374702
Molecular FormulaC13H24F3N3O
Molecular Weight295.35 g/mol
Exact Mass295.19
IUPAC Name4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCNC1(N(C)C)CCC(C(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N3O/c1-17-12(18(2)3)7-5-10(6-8-12)11(20)19(4)9-13(14,15)16/h10,17H,5-9H2,1-4H3
InChIKeyRIMZSSBCSUDBDC-UHFFFAOYSA-N
XLogP1.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2,2,2-trifluoro-1-{[(methylamino)carbonyl]amino}-1-(trifluoromethyl)ethyl]cyclohexanecarboxamide
CID 3810715
N-(1,1,1,3,3,3-hexafluoro-2-{[(2-methylpropyl)carbamoyl]amino}propan-2-yl)cyclohexanecarboxamide
CID 16763916
(4-Propan-2-ylpiperazin-1-yl)-[4-(2,2,2-trifluoroethylamino)cyclohexyl]methanone
CID 68439349
4-(Dimethylcarbamoylamino)cyclohexane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 68529946
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 81932076
4,4-difluoro-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 81932123
2-[4-[Acetyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetamide
CID 121439145
3,3-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 130487780
(3,3-Difluoropyrrolidin-1-yl)-[4-(dimethylamino)-4-(methylamino)cyclohexyl]methanone
CID 139374606
4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 139374692
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 144158714
4,4-difluoro-N-[(2R)-3-methylbutan-2-yl]cyclohexane-1-carboxamide
CID 164556074

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 139374702) is 4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CNC1(N(C)C)CCC(C(=O)N(C)CC(F)(F)F)CC1.
What is the InChIKey of 4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is RIMZSSBCSUDBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N3O/c1-17-12(18(2)3)7-5-10(6-8-12)11(20)19(4)9-13(14,15)16/h10,17H,5-9H2,1-4H3.
What are the key properties of 4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 139374702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).