3-methylmorpholine;hydrobromide

C5H12BrNO — CID 173415172

IUPAC3-methylmorpholine;hydrobromide
SMILESBr.CC1COCCN1
InChIInChI=1S/C5H11NO.BrH/c1-5-4-7-3-2-6-5;/h5-6H,2-4H2,1H3;1H
InChIKeyLJWKVKUEEMXYHO-UHFFFAOYSA-N
MW182.06 g/mol
LogP0.57
Rot. Bonds

About 3-methylmorpholine;hydrobromide

3-methylmorpholine;hydrobromide (PubChem CID 173415172) has the molecular formula C5H12BrNO and a molecular weight of 182.06 g/mol. Its IUPAC name is 3-methylmorpholine;hydrobromide.

Molecular Properties

Compound Name3-methylmorpholine;hydrobromide
PubChem CID173415172
Molecular FormulaC5H12BrNO
Molecular Weight182.06 g/mol
Exact Mass181.01
IUPAC Name3-methylmorpholine;hydrobromide
SMILESBr.CC1COCCN1
InChIInChI=1S/C5H11NO.BrH/c1-5-4-7-3-2-6-5;/h5-6H,2-4H2,1H3;1H
InChIKeyLJWKVKUEEMXYHO-UHFFFAOYSA-N
XLogP0.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(3S)-3-methylmorpholine
CID 145275253
(3S)-3-methylmorpholine;molecular hydrogen
CID 144559073
(3R)-3-methyl-1,4-oxazepane
CID 55298772
3,3-dideuterio-5-methylmorpholine
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(6S)-5,6-dimethyl-1,4-oxazepane
CID 166079644
(3S)-3-[(3S)-morpholin-3-yl]morpholine
CID 11693975
4-methyl-1,3-oxazolidine;(4R)-4-methyl-1,3-oxazolidine
CID 161279411
3-methylmorpholine;2-propan-2-ylpyrrolidin-1-ide;rhenium
CID 155589776
(3S)-3-iodomorpholine
CID 89004392
(3S)-3-[(E)-prop-1-enyl]morpholine
CID 130456764
3-tert-butylmorpholine;methanamine
CID 144581691
N-methyl-N-propylmorpholin-3-amine
CID 54007950

Frequently Asked Questions

What is the IUPAC name of 3-methylmorpholine;hydrobromide?
The IUPAC name of 3-methylmorpholine;hydrobromide (CID 173415172) is 3-methylmorpholine;hydrobromide.
What is the SMILES notation for 3-methylmorpholine;hydrobromide?
The canonical SMILES for 3-methylmorpholine;hydrobromide is Br.CC1COCCN1.
What is the InChIKey of 3-methylmorpholine;hydrobromide?
The InChIKey is LJWKVKUEEMXYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.BrH/c1-5-4-7-3-2-6-5;/h5-6H,2-4H2,1H3;1H.
What are the key properties of 3-methylmorpholine;hydrobromide?
3-methylmorpholine;hydrobromide has a molecular weight of 182.06 g/mol, XLogP of 0.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylmorpholine;hydrobromide is sourced from PubChem (CID 173415172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).