methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate

C14H23F3N2O2 — CID 79626339

IUPACmethyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C14H23F3N2O2/c1-18-13(12(20)21-2)7-3-4-11(8-13)19(10-5-6-10)9-14(15,16)17/h10-11,18H,3-9H2,1-2H3
InChIKeyHFQSZLZZZFAZHY-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.09
Rot. Bonds5

About methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate

methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate (PubChem CID 79626339) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
PubChem CID79626339
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Namemethyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C14H23F3N2O2/c1-18-13(12(20)21-2)7-3-4-11(8-13)19(10-5-6-10)9-14(15,16)17/h10-11,18H,3-9H2,1-2H3
InChIKeyHFQSZLZZZFAZHY-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[cyclopropyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79636606
methyl 3-[2,2-dimethylpropyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79641955
[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640306
ethyl 3-[butyl(cyclopropyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627138
methyl 3-[2-methoxyethyl(methyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79642304
methyl 3-[cyclobutylmethyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 107401088
3-[cyclopentyl(ethyl)amino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79636692
methyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclohexane-1-carboxylate
CID 79626185
methyl 3-[2-methoxyethyl(propan-2-yl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 82961022
methyl 3-(dimethylamino)-1-(ethylamino)cyclohexane-1-carboxylate
CID 79636589
methyl 3-[butan-2-yl(2-methoxyethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79627687
ethyl 1-(methylamino)-3-[methyl(2-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79641781

Frequently Asked Questions

What is the IUPAC name of methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate (CID 79626339) is methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate is CNC1(C(=O)OC)CCCC(N(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
The InChIKey is HFQSZLZZZFAZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-18-13(12(20)21-2)7-3-4-11(8-13)19(10-5-6-10)9-14(15,16)17/h10-11,18H,3-9H2,1-2H3.
What are the key properties of methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate?
methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79626339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).