1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol

C12H23F3N2O — CID 112737796

IUPAC1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(C)(C)C(N)CCN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-10(2,3)9(16)4-6-17-7-5-11(18,8-17)12(13,14)15/h9,18H,4-8,16H2,1-3H3
InChIKeyYZAGQGPWFHBKBM-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.75
Rot. Bonds3

About 1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol

1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 112737796) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID112737796
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(C)(C)C(N)CCN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-10(2,3)9(16)4-6-17-7-5-11(18,8-17)12(13,14)15/h9,18H,4-8,16H2,1-3H3
InChIKeyYZAGQGPWFHBKBM-UHFFFAOYSA-N
XLogP1.75
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

2-Methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]butan-2-ol
CID 65337886
1-(3-Amino-1,1,1-trifluoropentan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355364
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-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylpyrrolidin-3-ol
CID 103366498
1-(4-Amino-2,2-dimethylpentan-3-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737654
1-(1-Amino-3,3-dimethylbutan-2-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737655
1-[3-(Ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737798
3-[[2,2-Difluoroethyl(methyl)amino]methyl]pyrrolidin-3-ol
CID 114761041
3-[[Methyl(4,4,4-trifluorobutyl)amino]methyl]pyrrolidin-3-ol
CID 114761109
3-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]pyrrolidin-3-ol
CID 114761177
1-(Piperidin-4-yl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 121203251

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 112737796) is 1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol is CC(C)(C)C(N)CCN1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is YZAGQGPWFHBKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(2,3)9(16)4-6-17-7-5-11(18,8-17)12(13,14)15/h9,18H,4-8,16H2,1-3H3.
What are the key properties of 1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 268.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 112737796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).