2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol

C11H24N2O — CID 114800052

IUPAC2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol
SMILESCC(C)(CN)CN1CCC(CCO)C1
InChIInChI=1S/C11H24N2O/c1-11(2,8-12)9-13-5-3-10(7-13)4-6-14/h10,14H,3-9,12H2,1-2H3
InChIKeyRNUNGSHAKZNLRT-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.68
Rot. Bonds5

About 2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol

2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol (PubChem CID 114800052) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol
PubChem CID114800052
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol
SMILESCC(C)(CN)CN1CCC(CCO)C1
InChIInChI=1S/C11H24N2O/c1-11(2,8-12)9-13-5-3-10(7-13)4-6-14/h10,14H,3-9,12H2,1-2H3
InChIKeyRNUNGSHAKZNLRT-UHFFFAOYSA-N
XLogP0.68
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 114800154
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol
CID 114800051
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 114800023
2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-2-methylbutanal
CID 114800024
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
[1-[2-(aminomethyl)-2-methylbutyl]pyrrolidin-3-yl]methanol
CID 112629027
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62262995
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415
2-ethyl-2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]butan-1-ol
CID 107229026

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol (CID 114800052) is 2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol is CC(C)(CN)CN1CCC(CCO)C1.
What is the InChIKey of 2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol?
The InChIKey is RNUNGSHAKZNLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,8-12)9-13-5-3-10(7-13)4-6-14/h10,14H,3-9,12H2,1-2H3.
What are the key properties of 2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol?
2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol has a molecular weight of 200.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114800052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).