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

C11H23ClN2O — CID 117228013

IUPAC2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(C)(CC2CCCN2)N1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-10(2)8-14-11(3,13-10)7-9-5-4-6-12-9;/h9,12-13H,4-8H2,1-3H3;1H
InChIKeyYWBFEKCQZGTAEP-UHFFFAOYSA-N
MW234.77 g/mol
LogP1.66
Rot. Bonds2

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

2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride (PubChem CID 117228013) has the molecular formula C11H23ClN2O and a molecular weight of 234.77 g/mol. Its IUPAC name is 2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride
PubChem CID117228013
Molecular FormulaC11H23ClN2O
Molecular Weight234.77 g/mol
Exact Mass234.15
IUPAC Name2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(C)(CC2CCCN2)N1.Cl
InChIInChI=1S/C11H22N2O.ClH/c1-10(2)8-14-11(3,13-10)7-9-5-4-6-12-9;/h9,12-13H,4-8H2,1-3H3;1H
InChIKeyYWBFEKCQZGTAEP-UHFFFAOYSA-N
XLogP1.66
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.77
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine
CID 117228010
2,5-dimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazinane
CID 117226563
2,4,4-trimethyl-2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazolidine
CID 117227736
(2R)-2-(methylsulfonylmethyl)pyrrolidine;hydrochloride
CID 155971117
(2S)-2-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 69341147
2,4,4-trimethyl-2-propyl-1,3-oxazolidine
CID 117228404
2,4,4-trimethyl-2-(2-piperidin-1-ylethyl)-1,3-oxazolidine
CID 117228618
2,2,5,5-tetramethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)oxolan-3-amine
CID 106602894
ethane;2-propylpyrrolidine
CID 143349498
ethane;(2R)-2-propylpyrrolidine
CID 155717204
1,1-dimethylcyclopropane;ethane;[(2S)-pyrrolidin-2-yl]methanol
CID 142267909
N,N-dimethyl-2-[(2S)-pyrrolidin-2-yl]ethanamine;dihydrochloride
CID 155100868

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride (CID 117228013) is 2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride is CC1(C)COC(C)(CC2CCCN2)N1.Cl.
What is the InChIKey of 2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
The InChIKey is YWBFEKCQZGTAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O.ClH/c1-10(2)8-14-11(3,13-10)7-9-5-4-6-12-9;/h9,12-13H,4-8H2,1-3H3;1H.
What are the key properties of 2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride?
2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride has a molecular weight of 234.77 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-2-(pyrrolidin-2-ylmethyl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117228013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).