4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride

C12H25ClN2O — CID 117227911

IUPAC4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
SMILESCC(C)N1CCCC1C1NC(C)(C)CO1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)14-7-5-6-10(14)11-13-12(3,4)8-15-11;/h9-11,13H,5-8H2,1-4H3;1H
InChIKeyKDSVMNRIDZYMFJ-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.01
Rot. Bonds2

About 4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride

4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride (PubChem CID 117227911) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
PubChem CID117227911
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride
SMILESCC(C)N1CCCC1C1NC(C)(C)CO1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)14-7-5-6-10(14)11-13-12(3,4)8-15-11;/h9-11,13H,5-8H2,1-4H3;1H
InChIKeyKDSVMNRIDZYMFJ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazolidine;hydrochloride
CID 117227855
(4aS,8aR)-3,3,7,7-tetramethyl-2,4,4a,6,8,8a-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
CID 139225414
(2R)-2-[(2S)-4,4-dimethyl-1,3-oxazolidin-2-yl]-4,4-dimethyl-1,3-oxazolidine
CID 139225415
5-methyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazinane
CID 117226465
2-cyclobutyl-4,4-dimethyl-1,3-oxazolidine
CID 117228568
4-(1-propan-2-ylpyrrolidin-2-yl)piperidine
CID 66273659
2-propan-2-yl-7-sulfanyl-2,7-diazabicyclo[4.2.0]octane
CID 146439857
2-(1-ethylpyrrolidin-2-yl)-5,5-dimethyl-1,3-oxazinane;hydrochloride
CID 117226470
(4aR,7aR)-4a-methyl-1-propan-2-yl-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;(4aS,7aS)-1-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 159821928
4,4-dimethyl-2-(thian-2-yl)-1,3-oxazolidine
CID 117227940
1-tert-butyl-5-propan-2-yl-2,3,4,4a,6,7,8,8a-octahydro-1,5-naphthyridine
CID 164706311
(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 170523770

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride?
The IUPAC name of 4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride (CID 117227911) is 4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride is CC(C)N1CCCC1C1NC(C)(C)CO1.Cl.
What is the InChIKey of 4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride?
The InChIKey is KDSVMNRIDZYMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-9(2)14-7-5-6-10(14)11-13-12(3,4)8-15-11;/h9-11,13H,5-8H2,1-4H3;1H.
What are the key properties of 4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride?
4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117227911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).