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

C12H26N2O — CID 117018513

IUPAC2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol
SMILESCN(C)CCN1CC(CCO)CC1(C)C
InChIInChI=1S/C12H26N2O/c1-12(2)9-11(5-8-15)10-14(12)7-6-13(3)4/h11,15H,5-10H2,1-4H3
InChIKeyFEMMVORKFANTHK-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.03
Rot. Bonds5

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

2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol (PubChem CID 117018513) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol
PubChem CID117018513
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol
SMILESCN(C)CCN1CC(CCO)CC1(C)C
InChIInChI=1S/C12H26N2O/c1-12(2)9-11(5-8-15)10-14(12)7-6-13(3)4/h11,15H,5-10H2,1-4H3
InChIKeyFEMMVORKFANTHK-UHFFFAOYSA-N
XLogP1.03
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018828
2-[5,5-dimethyl-1-(2-phenylethyl)pyrrolidin-3-yl]ethanol
CID 117018523
2-[5,5-dimethyl-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 117018518
1-[3-(dimethylamino)propyl]-5,5-dimethylpyrrolidin-3-ol
CID 117017918
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-amine
CID 117020090
2-[1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidin-4-yl]acetonitrile
CID 117020477
2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol
CID 117018520
1-[2-(dimethylamino)ethyl]-2,2-dimethylpiperidine-4-carboxylic acid
CID 117020325
2-(1-butan-2-yl-5,5-dimethylpyrrolidin-3-yl)ethanol
CID 117018507
2-[2,2-dimethyl-1-(2-methylpropyl)piperidin-4-yl]ethanol
CID 117020411
(1,5,5-trimethylpyrrolidin-3-yl)methanol
CID 117018814
[(3R)-1,5,5-trimethylpyrrolidin-3-yl]methanol
CID 129462864

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol (CID 117018513) is 2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol is CN(C)CCN1CC(CCO)CC1(C)C.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol?
The InChIKey is FEMMVORKFANTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(2)9-11(5-8-15)10-14(12)7-6-13(3)4/h11,15H,5-10H2,1-4H3.
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol?
2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol has a molecular weight of 214.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]-5,5-dimethylpyrrolidin-3-yl]ethanol is sourced from PubChem (CID 117018513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).