[1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol

C13H25F3N2O — CID 79656869

IUPAC[1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
SMILESCCNC1(CO)CCC(N(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C13H25F3N2O/c1-4-17-12(9-19)6-5-11(7-12)18(10(2)3)8-13(14,15)16/h10-11,17,19H,4-9H2,1-3H3
InChIKeyKQQVAIDFLVIEGG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.15
Rot. Bonds6

About [1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol

[1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol (PubChem CID 79656869) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is [1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
PubChem CID79656869
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name[1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
SMILESCCNC1(CO)CCC(N(CC(F)(F)F)C(C)C)C1
InChIInChI=1S/C13H25F3N2O/c1-4-17-12(9-19)6-5-11(7-12)18(10(2)3)8-13(14,15)16/h10-11,17,19H,4-9H2,1-3H3
InChIKeyKQQVAIDFLVIEGG-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(ethylamino)-3-[methyl(2-methylpropyl)amino]cyclopentyl]methanol
CID 79656684
[3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentyl]methanol
CID 79656461
[1-(propylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79656540
[3-[2-methylpropyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656468
[3-[ethyl(2,2,2-trifluoroethyl)amino]-1-(methylamino)cyclopentyl]methanol
CID 79656870
[3-[pentyl(propan-2-yl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656708
[3-[cycloheptyl(methyl)amino]-1-(ethylamino)cyclopentyl]methanol
CID 79655884
1-(cyclopropylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxamide
CID 79646367
[3-[butyl(cyclopropyl)amino]-1-(ethylamino)cyclopentyl]methanol
CID 79655971
[1-(ethylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclopentyl]methanol
CID 79656682
[1-(ethylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclopentyl]methanol
CID 79647022
[3-[methyl(2-methylbutyl)amino]-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656362

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
The IUPAC name of [1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol (CID 79656869) is [1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol is CCNC1(CO)CCC(N(CC(F)(F)F)C(C)C)C1.
What is the InChIKey of [1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
The InChIKey is KQQVAIDFLVIEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-4-17-12(9-19)6-5-11(7-12)18(10(2)3)8-13(14,15)16/h10-11,17,19H,4-9H2,1-3H3.
What are the key properties of [1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
[1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol has a molecular weight of 282.35 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol is sourced from PubChem (CID 79656869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).