2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol

C13H28N2O — CID 176601165

IUPAC2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCC1NCCC1(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(9-10-16)8-5-12-13(3,4)6-7-14-12/h11-12,14,16H,5-10H2,1-4H3
InChIKeyGOLPYVPXWDFHFX-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds6

About 2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol

2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol (PubChem CID 176601165) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
PubChem CID176601165
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
SMILESCC(C)N(CCO)CCC1NCCC1(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)15(9-10-16)8-5-12-13(3,4)6-7-14-12/h11-12,14,16H,5-10H2,1-4H3
InChIKeyGOLPYVPXWDFHFX-UHFFFAOYSA-N
XLogP1.47
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,3-difluoropyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol
CID 176601617
N'-[(3,3-dimethylpyrrolidin-2-yl)methyl]-N,N-dimethyl-N'-propan-2-ylethane-1,2-diamine
CID 176601004
N-[2-(3,3-difluoropyrrolidin-2-yl)ethyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 176601263
3,3-dimethyl-2-(2-methylpropyl)pyrrolidine
CID 62753360
2-ethyl-3,3-dimethylpyrrolidine
CID 62352617
2-[(4,4-difluoropyrrolidin-2-yl)methyl-propan-2-ylamino]ethanol
CID 176601761
2-[2-(1-adamantyl)ethyl-propan-2-ylamino]ethanol
CID 60692321
2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol
CID 65013614
N-ethyl-N-[2-(4-methylpyrrolidin-2-yl)ethyl]propan-2-amine
CID 176601984
3-[[2-hydroxyethyl(propan-2-yl)amino]methyl]oxane-3-carbaldehyde
CID 63742041
2-[[1-(bromomethyl)cyclohexyl]methyl-propan-2-ylamino]ethanol
CID 65002178
2-methyl-N-[2-(3-methylpyrrolidin-2-yl)ethyl]-N-propan-2-ylpropan-1-amine
CID 176601781

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol?
The IUPAC name of 2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol (CID 176601165) is 2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol is CC(C)N(CCO)CCC1NCCC1(C)C.
What is the InChIKey of 2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol?
The InChIKey is GOLPYVPXWDFHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)15(9-10-16)8-5-12-13(3,4)6-7-14-12/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol?
2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,3-dimethylpyrrolidin-2-yl)ethyl-propan-2-ylamino]ethanol is sourced from PubChem (CID 176601165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).