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

C15H32N2O — CID 114800051

IUPAC2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol
SMILESCC(C)(CNC(C)(C)C)CN1CCC(CCO)C1
InChIInChI=1S/C15H32N2O/c1-14(2,3)16-11-15(4,5)12-17-8-6-13(10-17)7-9-18/h13,16,18H,6-12H2,1-5H3
InChIKeyPDWVONZPVKVRQI-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.11
Rot. Bonds6

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

2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol (PubChem CID 114800051) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol
PubChem CID114800051
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol
SMILESCC(C)(CNC(C)(C)C)CN1CCC(CCO)C1
InChIInChI=1S/C15H32N2O/c1-14(2,3)16-11-15(4,5)12-17-8-6-13(10-17)7-9-18/h13,16,18H,6-12H2,1-5H3
InChIKeyPDWVONZPVKVRQI-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-amino-2,2-dimethylpropyl)pyrrolidin-3-yl]ethanol
CID 114800052
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2,2-dimethylpropanal
CID 114800023
N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 63973765
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63168780
N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
CID 62270799
N-tert-butyl-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62263552
2-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]-2-methylbutanal
CID 114800024
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]piperidin-2-yl]ethanol
CID 55051425
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylbutan-2-ol
CID 115679530
2-[1-[2-(aminomethyl)-2-ethylbutyl]pyrrolidin-3-yl]ethanol
CID 114800154
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 55249989

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol (CID 114800051) is 2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol is CC(C)(CNC(C)(C)C)CN1CCC(CCO)C1.
What is the InChIKey of 2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol?
The InChIKey is PDWVONZPVKVRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-14(2,3)16-11-15(4,5)12-17-8-6-13(10-17)7-9-18/h13,16,18H,6-12H2,1-5H3.
What are the key properties of 2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol?
2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol has a molecular weight of 256.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(tert-butylamino)-2,2-dimethylpropyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114800051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).