2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine

C12H25ClN2O — CID 54515899

IUPAC2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCC1(C)OCC(C)(C)N1Cl
InChIInChI=1S/C12H25ClN2O/c1-6-14(7-2)9-8-12(5)15(13)11(3,4)10-16-12/h6-10H2,1-5H3
InChIKeyYMJSYAWXHJXNMG-UHFFFAOYSA-N
MW248.80 g/mol
LogP2.70
Rot. Bonds5

About 2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine

2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine (PubChem CID 54515899) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine.

Molecular Properties

Compound Name2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine
PubChem CID54515899
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine
SMILESCCN(CC)CCC1(C)OCC(C)(C)N1Cl
InChIInChI=1S/C12H25ClN2O/c1-6-14(7-2)9-8-12(5)15(13)11(3,4)10-16-12/h6-10H2,1-5H3
InChIKeyYMJSYAWXHJXNMG-UHFFFAOYSA-N
XLogP2.70
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-2,4,4-trimethyl-1,3-oxazolidine
CID 175443076
3-[2-(diethylamino)ethyl]oxolan-3-amine
CID 84732812
1-(3-chloro-2,4,4-trimethyl-1,3-oxazinan-2-yl)-N,N-diethylpropan-1-amine
CID 21410982
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
2,2-dimethyl-5,5-dipropyl-1,3-dioxane
CID 15153766
lithium 2-(diethylamino)ethanolate
CID 23694650
2-(1,10-dimethyl-3,4-dihydro-[1,4]oxazino[4,3-a]indol-1-yl)-N,N-diethylethanamine;hydrobromide
CID 3043826
1-[1-[2-(diethylamino)ethyl]cyclohexyl]cyclohexane-1-carboxylic acid;hydrochloride
CID 67411505
N-ethyl-N-[2-(3-methyloxetan-3-yl)ethyl]acetamide
CID 144689131
lithium bis[2-(diethylamino)ethyl]azanide
CID 100962865
bis[2-(diethylamino)ethyl]azanide;vanadium
CID 147184537
2-chloro-N,N-diethylethanamine;hypochlorous acid
CID 19898497

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine?
The IUPAC name of 2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine (CID 54515899) is 2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine.
What is the SMILES notation for 2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine?
The canonical SMILES for 2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine is CCN(CC)CCC1(C)OCC(C)(C)N1Cl.
What is the InChIKey of 2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine?
The InChIKey is YMJSYAWXHJXNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2O/c1-6-14(7-2)9-8-12(5)15(13)11(3,4)10-16-12/h6-10H2,1-5H3.
What are the key properties of 2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine?
2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine has a molecular weight of 248.80 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2,4,4-trimethyl-1,3-oxazolidin-2-yl)-N,N-diethylethanamine is sourced from PubChem (CID 54515899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).