(2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride

C8H18ClNO — CID 118619613

IUPAC(2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride
SMILESCOC(C)(C)[C@@H]1CCCN1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2,10-3)7-5-4-6-9-7;/h7,9H,4-6H2,1-3H3;1H/t7-;/m0./s1
InChIKeyLKEJRFFELOAQDX-FJXQXJEOSA-N
MW179.69 g/mol
LogP1.59
Rot. Bonds2

About (2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride

(2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride (PubChem CID 118619613) has the molecular formula C8H18ClNO and a molecular weight of 179.69 g/mol. Its IUPAC name is (2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride
PubChem CID118619613
Molecular FormulaC8H18ClNO
Molecular Weight179.69 g/mol
Exact Mass179.11
IUPAC Name(2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride
SMILESCOC(C)(C)[C@@H]1CCCN1.Cl
InChIInChI=1S/C8H17NO.ClH/c1-8(2,10-3)7-5-4-6-9-7;/h7,9H,4-6H2,1-3H3;1H/t7-;/m0./s1
InChIKeyLKEJRFFELOAQDX-FJXQXJEOSA-N
XLogP1.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Oxazolidine, 4-ethyl-2-methyl-2-(3-methylbutyl)-
CID 5105001
2-(Pyrrolidin-2-yl)propan-2-ol--hydrogen chloride (1/1)
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2-((2R)-pyrrolidin-2-yl)propan-2-ol hydrochloride
CID 66970742
2-(Methoxymethyl)-2-methylpyrrolidine hydrochloride
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2-(Methoxymethyl)-2-propylpyrrolidine
CID 79575609
(2R)-2-((tert-butoxy)methyl)pyrrolidine hydrochloride
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(2S)-2-[(tert-butoxy)methyl]pyrrolidine hydrochloride
CID 132327774
(2S)-2-(1-Ethyl-1-methoxypropyl)pyrrolidine
CID 10931875
(2S)-2-(2-methoxypropan-2-yl)pyrrolidine
CID 2733181
(2S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638921
(2S,4R)-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 176638926
(2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
CID 736167

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride (CID 118619613) is (2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride is COC(C)(C)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride?
The InChIKey is LKEJRFFELOAQDX-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H17NO.ClH/c1-8(2,10-3)7-5-4-6-9-7;/h7,9H,4-6H2,1-3H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride?
(2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride has a molecular weight of 179.69 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxypropan-2-yl)pyrrolidine;hydrochloride is sourced from PubChem (CID 118619613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).