2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol

C10H21NO — CID 117028492

IUPAC2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
SMILESCC(C)CN1CCCC1CCO
InChIInChI=1S/C10H21NO/c1-9(2)8-11-6-3-4-10(11)5-7-12/h9-10,12H,3-8H2,1-2H3
InChIKeyKHWFDOQULKOFHY-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds4

About 2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol

2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol (PubChem CID 117028492) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
PubChem CID117028492
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol
SMILESCC(C)CN1CCCC1CCO
InChIInChI=1S/C10H21NO/c1-9(2)8-11-6-3-4-10(11)5-7-12/h9-10,12H,3-8H2,1-2H3
InChIKeyKHWFDOQULKOFHY-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methylpropyl)piperidin-2-yl]ethanol
CID 62021194
(2S)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 106932811
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-2-ol
CID 62468156
(2R)-2-(fluoromethyl)-1-(2-methylpropyl)pyrrolidine
CID 165411366
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
N-[[1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62579624
(2R)-1-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 95357883
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368014
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800
3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol
CID 107443410
2-methyl-N-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 103880736
2-(1-pentylpyrrolidin-2-yl)ethanol
CID 117028513

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol (CID 117028492) is 2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol is CC(C)CN1CCCC1CCO.
What is the InChIKey of 2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol?
The InChIKey is KHWFDOQULKOFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)8-11-6-3-4-10(11)5-7-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol?
2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylpropyl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 117028492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).