(5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride

C8H18ClNO — CID 21100529

IUPAC(5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride
SMILESCCC1CC(C)C(CO)N1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-3-7-4-6(2)8(5-10)9-7;/h6-10H,3-5H2,1-2H3;1H
InChIKeyVDGMDXMNCQBCHF-UHFFFAOYSA-N
MW179.69 g/mol
LogP1.18
Rot. Bonds2

About (5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride

(5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride (PubChem CID 21100529) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is (5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride
PubChem CID21100529
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name(5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride
SMILESCCC1CC(C)C(CO)N1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-3-7-4-6(2)8(5-10)9-7;/h6-10H,3-5H2,1-2H3;1H
InChIKeyVDGMDXMNCQBCHF-UHFFFAOYSA-N
XLogP1.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-Methylpropyl)pyrrolidin-2-yl]methanol
CID 75488627
3-(2-Methylpyrrolidin-2-yl)propan-1-ol
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((2S,3aS,6aS)-octahydrocyclopenta(b)pyrrol-2-yl)methanol hydrochloride
CID 69129086
(5,5-Dimethylpyrrolidin-2-yl)methanol
CID 70516119
{2-Azaspiro[4.4]nonan-3-yl}methanol
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[(2S,4S)-4-methylpyrrolidin-2-yl]methanol hydrochloride
CID 118798391
(2-Azabicyclo(2.2.1)heptan-3-yl)methanol hydrochloride
CID 137347461
(2S,3R,4S,5R)-2,4-dibutyl-5-(hydroxymethyl)pyrrolidin-3-ol
CID 71453640
((2R,4R)-4-Methylpyrrolidin-2-yl)methanol hydrochloride
CID 118990641
{6-Azaspiro[3.4]octan-7-yl}methanol hydrochloride
CID 136575478
(6-Azaspiro(3.4)octan-5-yl)methanol hydrochloride
CID 145913144
((1R,3S,4S)-2-azabicyclo(2.2.1)heptan-3-yl)methanol hydrochloride
CID 165996858

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride?
The IUPAC name of (5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride (CID 21100529) is (5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride.
What is the SMILES notation for (5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride?
The canonical SMILES for (5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride is CCC1CC(C)C(CO)N1.Cl.
What is the InChIKey of (5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride?
The InChIKey is VDGMDXMNCQBCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-3-7-4-6(2)8(5-10)9-7;/h6-10H,3-5H2,1-2H3;1H.
What are the key properties of (5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride?
(5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-3-methylpyrrolidin-2-yl)methanol;hydrochloride is sourced from PubChem (CID 21100529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).