[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol

C11H24N2O — CID 117018828

IUPAC[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol
SMILESCN(C)CCN1CC(CO)CC1(C)C
InChIInChI=1S/C11H24N2O/c1-11(2)7-10(9-14)8-13(11)6-5-12(3)4/h10,14H,5-9H2,1-4H3
InChIKeyOEWVOOLVLLUINY-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.64
Rot. Bonds4

About [1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol

[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol (PubChem CID 117018828) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol
PubChem CID117018828
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol
SMILESCN(C)CCN1CC(CO)CC1(C)C
InChIInChI=1S/C11H24N2O/c1-11(2)7-10(9-14)8-13(11)6-5-12(3)4/h10,14H,5-9H2,1-4H3
InChIKeyOEWVOOLVLLUINY-UHFFFAOYSA-N
XLogP0.64
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol
CID 117018513
[(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol
CID 129462864
(1,5,5-trimethylpyrrolidin-3-yl)methanol
CID 117018814
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-amine
CID 117020090
1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol
CID 117017918
2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020477
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020325
2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol
CID 117018523
[1-(2-methoxyethyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018733
[1-(3-methoxypropyl)-2,2-dimethylpiperidin-4-yl]methanol
CID 117020669
1-(5,5-dimethyl-1-pentylpyrrolidin-3-yl)-N-methylmethanamine
CID 117018936
2-[5,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 117018518

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol?
The IUPAC name of [1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol (CID 117018828) is [1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol is CN(C)CCN1CC(CO)CC1(C)C.
What is the InChIKey of [1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol?
The InChIKey is OEWVOOLVLLUINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2)7-10(9-14)8-13(11)6-5-12(3)4/h10,14H,5-9H2,1-4H3.
What are the key properties of [1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol?
[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol has a molecular weight of 200.33 g/mol, XLogP of 0.64, 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]-5,5-dimethylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 117018828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).