[1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol

C10H22N2O — CID 102788257

IUPAC[1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CCN(C)C)C1CO
InChIInChI=1S/C10H22N2O/c1-9-4-5-12(10(9)8-13)7-6-11(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyITLPKNXKWAJGOZ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.25
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol

[1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102788257) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102788257
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name[1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(CCN(C)C)C1CO
InChIInChI=1S/C10H22N2O/c1-9-4-5-12(10(9)8-13)7-6-11(2)3/h9-10,13H,4-8H2,1-3H3
InChIKeyITLPKNXKWAJGOZ-UHFFFAOYSA-N
XLogP0.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-methyl-1-(2-sulfanylethyl)pyrrolidin-2-yl]methanol
CID 102789795
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethoxy]ethanol
CID 102786734
[3-methyl-1-(2-propoxyethyl)pyrrolidin-2-yl]methanol
CID 106456281
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanimidamide
CID 102781514
[1-(3-ethylsulfanylpropyl)-3-methylpyrrolidin-2-yl]methanol
CID 102788799
[3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 102787854
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102787968
[1-(2,2-diethoxyethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102782497
N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788933
(1-benzyl-3-methylpyrrolidin-2-yl)methanol
CID 78022490

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol (CID 102788257) is [1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(CCN(C)C)C1CO.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is ITLPKNXKWAJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9-4-5-12(10(9)8-13)7-6-11(2)3/h9-10,13H,4-8H2,1-3H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 186.30 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102788257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).