2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride

C11H23ClN2O — CID 117225706

IUPAC2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCC(C)N1CCCC1CC1NCCO1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-9(2)13-6-3-4-10(13)8-11-12-5-7-14-11;/h9-12H,3-8H2,1-2H3;1H
InChIKeyAEZZCQFJKWHKFA-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.62
Rot. Bonds3

About 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride

2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride (PubChem CID 117225706) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride
PubChem CID117225706
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride
SMILESCC(C)N1CCCC1CC1NCCO1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-9(2)13-6-3-4-10(13)8-11-12-5-7-14-11;/h9-12H,3-8H2,1-2H3;1H
InChIKeyAEZZCQFJKWHKFA-UHFFFAOYSA-N
XLogP1.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
CID 117228888
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methanamine;hydrochloride
CID 156593878
2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine;hydrochloride
CID 117225732
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine
CID 117225733
5-propan-2-yl-3,4,4a,6,7,8,9,9a-octahydro-2H-[1,4]oxazino[3,2-b]azepine
CID 174260679
2-(2-iodoethyl)-1-propan-2-ylpyrrolidine
CID 167152246
2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169
(2S)-2-(2-methylpropyl)-1-propan-2-ylpiperidine
CID 167138611
2-(oxan-4-ylmethyl)-1,3-oxazolidine
CID 117225640
1-[(2S)-1-propan-2-ylpyrrolidin-2-yl]propan-2-one
CID 164547301
2-propan-2-yl-2-[2-(1-propan-2-ylpyrrolidin-2-yl)ethyl]piperidine
CID 117271634

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride (CID 117225706) is 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride is CC(C)N1CCCC1CC1NCCO1.Cl.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride?
The InChIKey is AEZZCQFJKWHKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-9(2)13-6-3-4-10(13)8-11-12-5-7-14-11;/h9-12H,3-8H2,1-2H3;1H.
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride?
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117225706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).