4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride

C10H21ClN2O — CID 117227725

IUPAC4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(CC2CCNC2)N1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-10(2)7-13-9(12-10)5-8-3-4-11-6-8;/h8-9,11-12H,3-7H2,1-2H3;1H
InChIKeySPEVCFJYVAJGEW-UHFFFAOYSA-N
MW220.74 g/mol
LogP1.13
Rot. Bonds2

About 4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride

4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227725) has the molecular formula C10H21ClN2O and a molecular weight of 220.74 g/mol. Its IUPAC name is 4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
PubChem CID117227725
Molecular FormulaC10H21ClN2O
Molecular Weight220.74 g/mol
Exact Mass220.13
IUPAC Name4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(CC2CCNC2)N1.Cl
InChIInChI=1S/C10H20N2O.ClH/c1-10(2)7-13-9(12-10)5-8-3-4-11-6-8;/h8-9,11-12H,3-7H2,1-2H3;1H
InChIKeySPEVCFJYVAJGEW-UHFFFAOYSA-N
XLogP1.13
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.74
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117227797
4,4-dimethyl-2-(thiolan-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227715
2-[(1-ethylpiperidin-4-yl)methyl]-4,4-dimethyl-1,3-oxazolidine
CID 117227798
4,4-dimethyl-2-[(1-methylpyrrolidin-2-yl)methyl]-1,3-oxazolidine
CID 117228008
5,5-dimethyl-2-(piperidin-3-ylmethyl)-1,3-oxazolidine
CID 117228935
2,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117227729
(3S)-3-(cyclohexylmethyl)pyrrolidine
CID 86324106
3-(oxan-2-ylmethyl)pyrrolidine
CID 104680485
(3R)-3-[2-[(3R)-pyrrolidin-3-yl]ethyl]pyrrolidine
CID 129415517
ethane;3-ethylpyrrolidine
CID 143803201
N,N-dimethyl-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 23145859
4,4-dimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228610

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride (CID 117227725) is 4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride is CC1(C)COC(CC2CCNC2)N1.Cl.
What is the InChIKey of 4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
The InChIKey is SPEVCFJYVAJGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.ClH/c1-10(2)7-13-9(12-10)5-8-3-4-11-6-8;/h8-9,11-12H,3-7H2,1-2H3;1H.
What are the key properties of 4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride?
4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride has a molecular weight of 220.74 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).