[1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol

C11H23NO — CID 130684841

IUPAC[1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol
SMILESCC(C)(C)CN1CCC(C)(CO)C1
InChIInChI=1S/C11H23NO/c1-10(2,3)7-12-6-5-11(4,8-12)9-13/h13H,5-9H2,1-4H3
InChIKeyHWKZPFNYWOGUGF-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.74
Rot. Bonds2

About [1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol

[1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol (PubChem CID 130684841) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol
PubChem CID130684841
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol
SMILESCC(C)(C)CN1CCC(C)(CO)C1
InChIInChI=1S/C11H23NO/c1-10(2,3)7-12-6-5-11(4,8-12)9-13/h13H,5-9H2,1-4H3
InChIKeyHWKZPFNYWOGUGF-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropyl)-3-fluoro-3-methylpyrrolidine
CID 58266757
(1-ethyl-4-methylpiperidin-4-yl)methanol
CID 23389267
2-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 90140966
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
CID 83914161
1-(3,3-dimethylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 115277650
1,4-bis(2,2-dimethylpropyl)piperidin-4-ol
CID 177120339
2-tert-butyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonane
CID 171406778
[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol
CID 124863525
2-[3-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 130991676
[1-(2-ethylbutyl)-4-methylpiperidin-4-yl]methanol
CID 104695290
(1-amino-4-methylpiperidin-4-yl)methanol
CID 121203102
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol (CID 130684841) is [1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol is CC(C)(C)CN1CCC(C)(CO)C1.
What is the InChIKey of [1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol?
The InChIKey is HWKZPFNYWOGUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2,3)7-12-6-5-11(4,8-12)9-13/h13H,5-9H2,1-4H3.
What are the key properties of [1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol?
[1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol has a molecular weight of 185.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-dimethylpropyl)-3-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 130684841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).