[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol

C15H27F3N2O — CID 79634544

IUPAC[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol
SMILESCCCN(CC(F)(F)F)C1CCCC(CO)(NC2CC2)C1
InChIInChI=1S/C15H27F3N2O/c1-2-8-20(10-15(16,17)18)13-4-3-7-14(9-13,11-21)19-12-5-6-12/h12-13,19,21H,2-11H2,1H3
InChIKeyRNANEHRXHBXHDA-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.69
Rot. Bonds7

About [1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol

[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol (PubChem CID 79634544) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is [1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol
PubChem CID79634544
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol
SMILESCCCN(CC(F)(F)F)C1CCCC(CO)(NC2CC2)C1
InChIInChI=1S/C15H27F3N2O/c1-2-8-20(10-15(16,17)18)13-4-3-7-14(9-13,11-21)19-12-5-6-12/h12-13,19,21H,2-11H2,1H3
InChIKeyRNANEHRXHBXHDA-UHFFFAOYSA-N
XLogP2.69
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79656540
1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646385
[1-(cyclopropylamino)-3-[3-(dimethylamino)propyl-ethylamino]cyclohexyl]methanol
CID 102998353
1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 79626795
[3-[butyl(cyclopropyl)amino]-1-(cyclopropylamino)cyclohexyl]methanol
CID 79640161
[3-[butyl(ethyl)amino]-1-(cyclopropylamino)cyclopentyl]methanol
CID 79656594
[1-(cyclopropylamino)-3-[methyl(2-methylpropyl)amino]cyclohexyl]methanol
CID 79634395
[3-[ethyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclopentyl]methanol
CID 79656870
[1-(cyclopropylamino)-3-[ethyl(oxolan-2-ylmethyl)amino]cyclohexyl]methanol
CID 79635541
[3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclohexyl]methanol
CID 79640306
[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol
CID 79633532
1-(propan-2-ylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646380

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol?
The IUPAC name of [1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol (CID 79634544) is [1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol is CCCN(CC(F)(F)F)C1CCCC(CO)(NC2CC2)C1.
What is the InChIKey of [1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol?
The InChIKey is RNANEHRXHBXHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-2-8-20(10-15(16,17)18)13-4-3-7-14(9-13,11-21)19-12-5-6-12/h12-13,19,21H,2-11H2,1H3.
What are the key properties of [1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol?
[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol has a molecular weight of 308.39 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol is sourced from PubChem (CID 79634544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).