[2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol

C11H23NO — CID 117017699

IUPAC[2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CN1CCC(CO)C1(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-12-6-5-10(8-13)11(12,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyVHYZZCQTUMNJHD-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.74
Rot. Bonds3

About [2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol

[2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol (PubChem CID 117017699) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is [2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
PubChem CID117017699
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name[2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CN1CCC(CO)C1(C)C
InChIInChI=1S/C11H23NO/c1-9(2)7-12-6-5-10(8-13)11(12,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyVHYZZCQTUMNJHD-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol
CID 117020411
[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 117017714
[2-methyl-1-(2-methylpropyl)piperidin-2-yl]methanol
CID 127000302
2,2-dimethyl-1-(2-methylpropyl)-5-propylpiperazine
CID 64838610
[2,2-dimethyl-1-(4-methylphenyl)pyrrolidin-3-yl]methanol
CID 117017726
2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid
CID 117017328
2,2-dimethyl-3-(2-methylpropyl)-1,3-oxazolidine
CID 174923800
[(1S,2R)-2-amino-2-methylcyclobutyl]methanol
CID 55284494
2-(1-ethyl-2,2-dimethylpyrrolidin-3-yl)acetonitrile
CID 117017458
6,6-dimethyl-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 117021218
[2,2-dimethyl-1-(3-methylbutyl)piperidin-3-yl]methanamine
CID 117019709
2-(1,2,2-trimethylpyrrolidin-3-yl)ethanol
CID 117017383

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol (CID 117017699) is [2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol is CC(C)CN1CCC(CO)C1(C)C.
What is the InChIKey of [2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
The InChIKey is VHYZZCQTUMNJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(2)7-12-6-5-10(8-13)11(12,3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of [2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
[2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol has a molecular weight of 185.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(2-methylpropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 117017699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).