4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol

C12H25NO2 — CID 102789651

IUPAC4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC1CCN(CC(C)(C)C(C)O)C1CO
InChIInChI=1S/C12H25NO2/c1-9-5-6-13(11(9)7-14)8-12(3,4)10(2)15/h9-11,14-15H,5-8H2,1-4H3
InChIKeyMSPDFEWGSOFNMJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.10
Rot. Bonds4

About 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol

4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol (PubChem CID 102789651) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
PubChem CID102789651
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
SMILESCC1CCN(CC(C)(C)C(C)O)C1CO
InChIInChI=1S/C12H25NO2/c1-9-5-6-13(11(9)7-14)8-12(3,4)10(2)15/h9-11,14-15H,5-8H2,1-4H3
InChIKeyMSPDFEWGSOFNMJ-UHFFFAOYSA-N
XLogP1.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 102787854
[1-(3-amino-2-methyl-2-phenylpropyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789630
[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
CID 102789795
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-methylpropanamide
CID 102788879
1-(2-ethyl-3-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 130683657
[1-(2,2-diethoxyethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102782497
[1-[(2-amino-5-propan-2-ylcyclohexyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102789598
[1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788257
[1-[(4-aminooxan-3-yl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 103061041
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454779
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol
CID 102786734

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol (CID 102789651) is 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol is CC1CCN(CC(C)(C)C(C)O)C1CO.
What is the InChIKey of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is MSPDFEWGSOFNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9-5-6-13(11(9)7-14)8-12(3,4)10(2)15/h9-11,14-15H,5-8H2,1-4H3.
What are the key properties of 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol?
4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 102789651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).