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

C9H17F3N2O — CID 79657036

IUPAC[1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
SMILESCN(CC(F)(F)F)C1CCC(N)(CO)C1
InChIInChI=1S/C9H17F3N2O/c1-14(5-9(10,11)12)7-2-3-8(13,4-7)6-15/h7,15H,2-6,13H2,1H3
InChIKeyWXILQMLECUILJL-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.72
Rot. Bonds3

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

[1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol (PubChem CID 79657036) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
PubChem CID79657036
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
SMILESCN(CC(F)(F)F)C1CCC(N)(CO)C1
InChIInChI=1S/C9H17F3N2O/c1-14(5-9(10,11)12)7-2-3-8(13,4-7)6-15/h7,15H,2-6,13H2,1H3
InChIKeyWXILQMLECUILJL-UHFFFAOYSA-N
XLogP0.72
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79657041
[1-amino-3-(diethylamino)cyclopentyl]methanol
CID 79656193
[1-amino-3-[cyclopentyl(methyl)amino]cyclopentyl]methanol
CID 79656037
[1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol
CID 79657029
[1-amino-3-[cyclobutylmethyl(methyl)amino]cyclohexyl]methanol
CID 79633787
[1-amino-3-[methyl(oxolan-3-yl)amino]cyclopentyl]methanol
CID 82745481
[1-amino-3-(dibutylamino)cyclopentyl]methanol
CID 79656278
[1-amino-3-[methyl(4-methylpentan-2-yl)amino]cyclopentyl]methanol
CID 79656226
N-methyl-N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride
CID 90259041
[1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol
CID 79655898
[1-amino-3-[methyl(oxan-4-ylmethyl)amino]cyclohexyl]methanol
CID 79635025
[1-amino-3-[propan-2-yl(propyl)amino]cyclopentyl]methanol
CID 79656528

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
The IUPAC name of [1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol (CID 79657036) is [1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol is CN(CC(F)(F)F)C1CCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
The InChIKey is WXILQMLECUILJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-14(5-9(10,11)12)7-2-3-8(13,4-7)6-15/h7,15H,2-6,13H2,1H3.
What are the key properties of [1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol?
[1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol has a molecular weight of 226.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[methyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol is sourced from PubChem (CID 79657036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).