[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol

C13H23F3N2O — CID 79640306

IUPAC[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C13H23F3N2O/c1-17-12(9-19)6-2-3-11(7-12)18(10-4-5-10)8-13(14,15)16/h10-11,17,19H,2-9H2,1H3
InChIKeyBBWDYHXDJCBKJY-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.91
Rot. Bonds5

About [3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol

[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol (PubChem CID 79640306) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is [3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol
PubChem CID79640306
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol
SMILESCNC1(CO)CCCC(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C13H23F3N2O/c1-17-12(9-19)6-2-3-11(7-12)18(10-4-5-10)8-13(14,15)16/h10-11,17,19H,2-9H2,1H3
InChIKeyBBWDYHXDJCBKJY-UHFFFAOYSA-N
XLogP1.91
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol with MolForge

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Related Compounds

methyl 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carboxylate
CID 79626339
[3-[ethyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclopentyl]methanol
CID 79656870
[3-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640947
[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol
CID 79634544
[3-cyclopropyl-1-(methylamino)cyclohexyl]methanol
CID 64623011
[3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol
CID 79640161
[3-[butyl(cyclopropyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79640385
[3-[2-ethoxyethyl(methyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 81065074
[3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640784
[1-(methylamino)-3-(3-methylbutan-2-ylsulfanyl)cyclohexyl]methanol
CID 107764753
[3-cyclopentylsulfanyl-1-(methylamino)cyclopentyl]methanol
CID 79646566
3-[ethyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexane-1-carbonitrile
CID 79625197

Frequently Asked Questions

What is the IUPAC name of [3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol?
The IUPAC name of [3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol (CID 79640306) is [3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol?
The canonical SMILES for [3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol is CNC1(CO)CCCC(N(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of [3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol?
The InChIKey is BBWDYHXDJCBKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-17-12(9-19)6-2-3-11(7-12)18(10-4-5-10)8-13(14,15)16/h10-11,17,19H,2-9H2,1H3.
What are the key properties of [3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol?
[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol has a molecular weight of 280.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).