2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride

C12H25ClN2O — CID 117226470

IUPAC2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
SMILESCCN1CCCC1C1NCC(C)(C)CO1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-4-14-7-5-6-10(14)11-13-8-12(2,3)9-15-11;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyOYWWDJINZQCYIZ-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.86
Rot. Bonds2

About 2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride

2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride (PubChem CID 117226470) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
PubChem CID117226470
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
SMILESCCN1CCCC1C1NCC(C)(C)CO1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-4-14-7-5-6-10(14)11-13-8-12(2,3)9-15-11;/h10-11,13H,4-9H2,1-3H3;1H
InChIKeyOYWWDJINZQCYIZ-UHFFFAOYSA-N
XLogP1.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpiperidin-4-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226246
5,5-dimethyl-2-(thiolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226442
2-cyclobutyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227172
2-(1-ethylpyrrolidin-2-yl)-4-methyl-1,3-oxazolidine;hydrochloride
CID 117227905
2-cyclohexyl-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117227188
2-cyclobutyl-5,5-dimethyl-1,3-oxazinane
CID 117227173
5,5-dimethyl-2-(oxolan-2-yl)-1,3-oxazinane;hydrochloride
CID 117226426
2-[(1-ethylpyrrolidin-2-yl)methyl]-2,5,5-trimethyl-1,3-oxazinane;hydrochloride
CID 117226586
4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
CID 117227911
4-(5,5-dimethyl-1,3-oxazinan-2-yl)thiane 1,1-dioxide
CID 117226211
5,5-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazinane
CID 117226611
5,5-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazinane
CID 117227217

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride?
The IUPAC name of 2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride (CID 117226470) is 2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride.
What is the SMILES notation for 2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride?
The canonical SMILES for 2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride is CCN1CCCC1C1NCC(C)(C)CO1.Cl.
What is the InChIKey of 2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride?
The InChIKey is OYWWDJINZQCYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-4-14-7-5-6-10(14)11-13-8-12(2,3)9-15-11;/h10-11,13H,4-9H2,1-3H3;1H.
What are the key properties of 2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride?
2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride is sourced from PubChem (CID 117226470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).