[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol

C14H27F3N2O — CID 79656540

IUPAC[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N(CCC)CC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-7-18-13(11-20)6-5-12(9-13)19(8-4-2)10-14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyUIXZZWHCHFVGDA-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.54
Rot. Bonds8

About [1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol

[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol (PubChem CID 79656540) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is [1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
PubChem CID79656540
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N(CCC)CC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2O/c1-3-7-18-13(11-20)6-5-12(9-13)19(8-4-2)10-14(15,16)17/h12,18,20H,3-11H2,1-2H3
InChIKeyUIXZZWHCHFVGDA-UHFFFAOYSA-N
XLogP2.54
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexyl]methanol
CID 79634544
[3-[2-(dimethylamino)ethyl-propylamino]-1-(propylamino)cyclohexyl]methanol
CID 79633532
[3-[ethyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclopentyl]methanol
CID 79656870
[3-[cyclopropylmethyl(ethyl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79656262
[3-(dibutylamino)-1-(propylamino)cyclohexyl]methanol
CID 79633811
[1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79656869
1-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 79626795
1-(cyclopropylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646385
[3-[methyl(oxan-4-yl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79655803
[3-[methyl(4-methylpentan-2-yl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79656145
[3-[butyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79634231
[3-[1-methoxypropan-2-yl(methyl)amino]-1-(propylamino)cyclopentyl]methanol
CID 79655810

Frequently Asked Questions

What is the IUPAC name of [1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
The IUPAC name of [1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol (CID 79656540) is [1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol is CCCNC1(CO)CCC(N(CCC)CC(F)(F)F)C1.
What is the InChIKey of [1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
The InChIKey is UIXZZWHCHFVGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-3-7-18-13(11-20)6-5-12(9-13)19(8-4-2)10-14(15,16)17/h12,18,20H,3-11H2,1-2H3.
What are the key properties of [1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol has a molecular weight of 296.38 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol is sourced from PubChem (CID 79656540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).