1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol

C12H26N2O — CID 112629123

IUPAC1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol
SMILESCNCC(C)(C)CN1CCC(C(C)O)C1
InChIInChI=1S/C12H26N2O/c1-10(15)11-5-6-14(7-11)9-12(2,3)8-13-4/h10-11,13,15H,5-9H2,1-4H3
InChIKeyDAAIEHWSCLAPTQ-UHFFFAOYSA-N
MW214.35 g/mol
LogP0.93
Rot. Bonds5

About 1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol

1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol (PubChem CID 112629123) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol
PubChem CID112629123
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol
SMILESCNCC(C)(C)CN1CCC(C(C)O)C1
InChIInChI=1S/C12H26N2O/c1-10(15)11-5-6-14(7-11)9-12(2,3)8-13-4/h10-11,13,15H,5-9H2,1-4H3
InChIKeyDAAIEHWSCLAPTQ-UHFFFAOYSA-N
XLogP0.93
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-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-[1-[2,2-dimethyl-3-(methylamino)propyl]piperidin-4-yl]ethanol
CID 106837804
N,2,2-trimethyl-3-(3-methylpyrrolidin-1-yl)propan-1-amine
CID 62257427
1-[1-[2-(bromomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 112628053
1-[1-[2-methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-yl]ethanol
CID 112629152
N,2,2-trimethyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539596
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]ethanol
CID 112628491
1-[1-[2-[(tert-butylamino)methyl]-2-methylbutyl]piperidin-4-yl]ethanol
CID 106837835
1-[1-[[2-(methylamino)cyclohexyl]methyl]pyrrolidin-3-yl]ethanol
CID 112629144
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]ethanol
CID 112626536
1-[1-(3-chloro-2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 112628064
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 112629260
1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
CID 112628065

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol (CID 112629123) is 1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol is CNCC(C)(C)CN1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol?
The InChIKey is DAAIEHWSCLAPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(15)11-5-6-14(7-11)9-12(2,3)8-13-4/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of 1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol?
1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol has a molecular weight of 214.35 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2,2-dimethyl-3-(methylamino)propyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112629123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).