1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

C12H23F3N2O — CID 112737654

IUPAC1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(N)C(N1CCC(O)(C(F)(F)F)C1)C(C)(C)C
InChIInChI=1S/C12H23F3N2O/c1-8(16)9(10(2,3)4)17-6-5-11(18,7-17)12(13,14)15/h8-9,18H,5-7,16H2,1-4H3
InChIKeyKTEVAYYQOAIOLE-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.75
Rot. Bonds2

About 1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol

1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 112737654) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID112737654
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(N)C(N1CCC(O)(C(F)(F)F)C1)C(C)(C)C
InChIInChI=1S/C12H23F3N2O/c1-8(16)9(10(2,3)4)17-6-5-11(18,7-17)12(13,14)15/h8-9,18H,5-7,16H2,1-4H3
InChIKeyKTEVAYYQOAIOLE-UHFFFAOYSA-N
XLogP1.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355364
1-(3-Amino-1,1,1-trifluoropropan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355380
1-(3-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355540
1-(4-Amino-1,1,1-trifluorobutan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355587
1-(1-Amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737655
1-(3-Amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737796
1-(2-Amino-2-methylpropyl)-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
CID 120375306
1-(2-Amino-2-methylpropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 120375307
1-(2-Aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
CID 120477588
1-(2-Aminopropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 120477589
1-[2-(Tert-butylamino)ethyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 121656557
1-(2-Aminopropyl)-3-methylpyrrolidin-3-ol
CID 156178310

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 112737654) is 1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is CC(N)C(N1CCC(O)(C(F)(F)F)C1)C(C)(C)C.
What is the InChIKey of 1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is KTEVAYYQOAIOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-8(16)9(10(2,3)4)17-6-5-11(18,7-17)12(13,14)15/h8-9,18H,5-7,16H2,1-4H3.
What are the key properties of 1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 268.32 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 112737654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).