4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

C14H26F3N3O — CID 139374692

IUPAC4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCN(C)C1(NC)CCC(C(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O/c1-5-20(4)13(18-2)8-6-11(7-9-13)12(21)19(3)10-14(15,16)17/h11,18H,5-10H2,1-4H3
InChIKeyNDTYKUVYKBTYDN-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.06
Rot. Bonds5

About 4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide

4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 139374692) has the molecular formula C14H26F3N3O and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID139374692
Molecular FormulaC14H26F3N3O
Molecular Weight309.38 g/mol
Exact Mass309.20
IUPAC Name4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESCCN(C)C1(NC)CCC(C(=O)N(C)CC(F)(F)F)CC1
InChIInChI=1S/C14H26F3N3O/c1-5-20(4)13(18-2)8-6-11(7-9-13)12(21)19(3)10-14(15,16)17/h11,18H,5-10H2,1-4H3
InChIKeyNDTYKUVYKBTYDN-UHFFFAOYSA-N
XLogP2.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1,1,1,3,3,3-hexafluoro-2-(methylcarbamoylamino)propan-2-yl]cyclohexanecarboxamide
CID 3810715
N-(1,1,1,3,3,3-hexafluoro-2-{[(2-methylpropyl)carbamoyl]amino}propan-2-yl)cyclohexanecarboxamide
CID 16763916
4-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 60848275
4-(Dimethylcarbamoylamino)cyclohexane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 68529946
4-(Ethylcarbamoylamino)cyclohexane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 68961561
(4-Aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 116991700
(3,3-Difluoropyrrolidin-1-yl)-[4-(dimethylamino)-4-(methylamino)cyclohexyl]methanone
CID 139374606
4-(dimethylamino)-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 139374702
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(methylamino)cyclohexane-1-carboxamide
CID 144158714
4-amino-N-(2,2-difluorocyclopropyl)cyclohexane-1-carboxamide
CID 178652133
7-amino-N-[4-(trifluoromethyl)cyclohexyl]heptanamide
CID 43712682
4-(2,2-difluoroethyl)-N-[4-(methylcarbamoyl)cyclohexyl]piperazine-1-carboxamide
CID 49128673

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 139374692) is 4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is CCN(C)C1(NC)CCC(C(=O)N(C)CC(F)(F)F)CC1.
What is the InChIKey of 4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is NDTYKUVYKBTYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O/c1-5-20(4)13(18-2)8-6-11(7-9-13)12(21)19(3)10-14(15,16)17/h11,18H,5-10H2,1-4H3.
What are the key properties of 4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 309.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(methyl)amino]-N-methyl-4-(methylamino)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 139374692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).