3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C13H26N2O3 — CID 15936531

IUPAC3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCN(C)CCCOC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C13H26N2O3/c1-12(2)10-18-13(3,4)15(12)11(16)17-9-7-8-14(5)6/h7-10H2,1-6H3
InChIKeyVIQUVFDNMMGFCM-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.92
Rot. Bonds4

About 3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 15936531) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID15936531
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESCN(C)CCCOC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C13H26N2O3/c1-12(2)10-18-13(3,4)15(12)11(16)17-9-7-8-14(5)6/h7-10H2,1-6H3
InChIKeyVIQUVFDNMMGFCM-UHFFFAOYSA-N
XLogP1.92
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 177436139
ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 19755076
(4-hydroxy-6-trimethylsilylhex-5-ynyl) 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 10759677
[3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 15936541
[(1S)-3-(dimethylamino)-1-trimethylstannylpropyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 15936540
[(1R,2S)-2-[(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxymethyl]cyclohexyl]methyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 11762211
3-[(1R)-1-methylinden-1-yl]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 135055925
[(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134997619
benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 19783758
lithium pentyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 177438170
lithium 3-[(2-methylpropan-2-yl)oxy]propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 177383717
[(E)-3,3-dimethyl-6-phenylhex-5-enyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 10872085

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 15936531) is 3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for 3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for 3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is CN(C)CCCOC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of 3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is VIQUVFDNMMGFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2)10-18-13(3,4)15(12)11(16)17-9-7-8-14(5)6/h7-10H2,1-6H3.
What are the key properties of 3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 15936531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).