[4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol

C10H21NO — CID 117270746

IUPAC[4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)(C)CC1CNC(CO)C1
InChIInChI=1S/C10H21NO/c1-10(2,3)5-8-4-9(7-12)11-6-8/h8-9,11-12H,4-7H2,1-3H3
InChIKeyWGRUQVHHQUMUQW-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.39
Rot. Bonds2

About [4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol

[4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol (PubChem CID 117270746) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol
PubChem CID117270746
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name[4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol
SMILESCC(C)(C)CC1CNC(CO)C1
InChIInChI=1S/C10H21NO/c1-10(2,3)5-8-4-9(7-12)11-6-8/h8-9,11-12H,4-7H2,1-3H3
InChIKeyWGRUQVHHQUMUQW-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,4R)-4-propylpyrrolidin-2-yl]methanol
CID 89351797
(4-aminopyrrolidin-2-yl)methanol;ethane
CID 178036634
[(4R)-4-methylpyrrolidin-2-yl]methanol
CID 149144026
[(2S)-4-methoxypyrrolidin-2-yl]methanol
CID 159031091
[(2R,4S)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 68644094
[4-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270406
[4-(piperidin-1-ylmethyl)pyrrolidin-2-yl]methanol
CID 117270876
[4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270553
[(1R,3R)-3-(2,2-dimethylpropyl)cyclopentyl]methanol
CID 59479700
(4R)-4-tert-butyl-2-(2,2-dimethylpropyl)pyrrolidine
CID 166715420
[(2S)-4-methylsulfanylpyrrolidin-2-yl]methanol
CID 88973819
[4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
CID 19990882

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol (CID 117270746) is [4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol is CC(C)(C)CC1CNC(CO)C1.
What is the InChIKey of [4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol?
The InChIKey is WGRUQVHHQUMUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2,3)5-8-4-9(7-12)11-6-8/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of [4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol?
[4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol has a molecular weight of 171.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dimethylpropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 117270746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).