1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide

C12H22F3N3O — CID 79641468

IUPAC1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N(C)CC(F)(F)F)C1
InChIInChI=1S/C12H22F3N3O/c1-3-17-11(10(16)19)6-4-5-9(7-11)18(2)8-12(13,14)15/h9,17H,3-8H2,1-2H3,(H2,16,19)
InChIKeyCJLBAKKHSHVXIG-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.26
Rot. Bonds5

About 1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide

1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide (PubChem CID 79641468) has the molecular formula C12H22F3N3O and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide
PubChem CID79641468
Molecular FormulaC12H22F3N3O
Molecular Weight281.32 g/mol
Exact Mass281.17
IUPAC Name1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC(N(C)CC(F)(F)F)C1
InChIInChI=1S/C12H22F3N3O/c1-3-17-11(10(16)19)6-4-5-9(7-11)18(2)8-12(13,14)15/h9,17H,3-8H2,1-2H3,(H2,16,19)
InChIKeyCJLBAKKHSHVXIG-UHFFFAOYSA-N
XLogP1.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropylmethyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79641470
1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexane-1-carboxamide
CID 79636536
1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexane-1-carboxamide
CID 79633998
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79642233
1-(ethylamino)-3-[methyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649949
1-(ethylamino)-3-[methyl(oxolan-3-yl)amino]cyclohexane-1-carboxamide
CID 82743164
1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 79626795
3-[bis(2-methoxyethyl)amino]-1-(ethylamino)cyclohexane-1-carboxamide
CID 79627693
ethyl 3-[butyl(methyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636878
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
3-(dipropylamino)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650183
3-[bis(cyclopropylmethyl)amino]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79650869

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide?
The IUPAC name of 1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide (CID 79641468) is 1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide is CCNC1(C(N)=O)CCCC(N(C)CC(F)(F)F)C1.
What is the InChIKey of 1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide?
The InChIKey is CJLBAKKHSHVXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3O/c1-3-17-11(10(16)19)6-4-5-9(7-11)18(2)8-12(13,14)15/h9,17H,3-8H2,1-2H3,(H2,16,19).
What are the key properties of 1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide?
1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 79641468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).