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

C16H33BrN2O2 — CID 3040563

IUPAC5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CCCCN1CC(CN(CC(C)C)CC(C)C)OC1=O
InChIInChI=1S/C16H32N2O2.BrH/c1-6-7-8-18-12-15(20-16(18)19)11-17(9-13(2)3)10-14(4)5;/h13-15H,6-12H2,1-5H3;1H
InChIKeyZDFVBEUUMHZJEA-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.80
Rot. Bonds9

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

5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide (PubChem CID 3040563) 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-butyl-1,3-oxazolidin-2-one;hydrobromide.

Molecular Properties

Compound Name5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide
PubChem CID3040563
Molecular FormulaC16H33BrN2O2
Molecular Weight365.36 g/mol
Exact Mass364.17
IUPAC Name5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide
SMILESBr.CCCCN1CC(CN(CC(C)C)CC(C)C)OC1=O
InChIInChI=1S/C16H32N2O2.BrH/c1-6-7-8-18-12-15(20-16(18)19)11-17(9-13(2)3)10-14(4)5;/h13-15H,6-12H2,1-5H3;1H
InChIKeyZDFVBEUUMHZJEA-UHFFFAOYSA-N
XLogP3.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.80
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-(2-methylpropyl)-, monohydrobromide
CID 3040565
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-Butyl-5-ethyl-1,3-oxazolidin-2-one
CID 13516000
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
5-[[Bis(2-methylpropyl)amino]methyl]-3-butan-2-yl-1,3-oxazolidin-2-one
CID 3040568

Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide?
The IUPAC name of 5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide (CID 3040563) is 5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide.
What is the SMILES notation for 5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide?
The canonical SMILES for 5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide is Br.CCCCN1CC(CN(CC(C)C)CC(C)C)OC1=O.
What is the InChIKey of 5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide?
The InChIKey is ZDFVBEUUMHZJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2.BrH/c1-6-7-8-18-12-15(20-16(18)19)11-17(9-13(2)3)10-14(4)5;/h13-15H,6-12H2,1-5H3;1H.
What are the key properties of 5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide?
5-[[bis(2-methylpropyl)amino]methyl]-3-butyl-1,3-oxazolidin-2-one;hydrobromide has a molecular weight of 365.36 g/mol, XLogP of 3.80, 9 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-butyl-1,3-oxazolidin-2-one;hydrobromide is sourced from PubChem (CID 3040563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).