5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide

C16H33BrN2O2 — CID 3040565

IUPAC5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CC(C)CN(CC(C)C)CC1CN(CC(C)C)C(=O)O1
InChIInChI=1S/C16H32N2O2.BrH/c1-12(2)7-17(8-13(3)4)10-15-11-18(9-14(5)6)16(19)20-15;/h12-15H,7-11H2,1-6H3;1H
InChIKeyJOYWRMCVGFRVKD-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.66
Rot. Bonds8

About 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide

5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide (PubChem CID 3040565) has the molecular formula C16H33BrN2O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide.

Molecular Properties

Compound Name5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide
PubChem CID3040565
Molecular FormulaC16H33BrN2O2
Molecular Weight365.36 g/mol
Exact Mass364.17
IUPAC Name5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CC(C)CN(CC(C)C)CC1CN(CC(C)C)C(=O)O1
InChIInChI=1S/C16H32N2O2.BrH/c1-12(2)7-17(8-13(3)4)10-15-11-18(9-14(5)6)16(19)20-15;/h12-15H,7-11H2,1-6H3;1H
InChIKeyJOYWRMCVGFRVKD-UHFFFAOYSA-N
XLogP3.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trimethyl-[[(5R)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545096
trimethyl-[[(5S)-3-methyl-2-oxo-1,3-oxazolidin-5-yl]methyl]azanium
CID 72545329
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-propyl-, monohydrobromide
CID 3040561
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-butyl-, monohydrobromide
CID 3040563
2-Oxazolidinone, 5-((bis(2-methylpropyl)amino)methyl)-3-(1-methylpropyl)-, monohydrobromide
CID 3040567
2-Oxazolidinone, 3-(2-methylpropyl)-5-(4-morpholinylmethyl)-, monohydrobromide
CID 3040571
5-(Aminomethyl)-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 55268663
3-[3-(Dimethylamino)propyl]-1,3-oxazolidin-2-one
CID 145913615
3-(3-(Diethylamino)propyl)-1,3-oxazolidin-2-one
CID 145913727
5-[[Bis(2-methylpropyl)amino]methyl]-3-propyl-1,3-oxazolidin-2-one
CID 3040562
5-[[Bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one
CID 3040564
5-[[Bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3040566

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide?
The IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide (CID 3040565) is 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide.
What is the SMILES notation for 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide?
The canonical SMILES for 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide is Br.CC(C)CN(CC(C)C)CC1CN(CC(C)C)C(=O)O1.
What is the InChIKey of 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide?
The InChIKey is JOYWRMCVGFRVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2.BrH/c1-12(2)7-17(8-13(3)4)10-15-11-18(9-14(5)6)16(19)20-15;/h12-15H,7-11H2,1-6H3;1H.
What are the key properties of 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide?
5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide has a molecular weight of 365.36 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-methylpropyl)amino]methyl]-3-(2-methylpropyl)-1,3-oxazolidin-2-one;hydrobromide is sourced from PubChem (CID 3040565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).