2-(bromomethyl)-4-butyl-6-methylmorpholine

C10H20BrNO — CID 102936811

IUPAC2-(bromomethyl)-4-butyl-6-methylmorpholine
SMILESCCCCN1CC(C)OC(CBr)C1
InChIInChI=1S/C10H20BrNO/c1-3-4-5-12-7-9(2)13-10(6-11)8-12/h9-10H,3-8H2,1-2H3
InChIKeyZMSBAIVVXAAYET-UHFFFAOYSA-N
MW250.18 g/mol
LogP2.27
Rot. Bonds4

About 2-(bromomethyl)-4-butyl-6-methylmorpholine

2-(bromomethyl)-4-butyl-6-methylmorpholine (PubChem CID 102936811) has the molecular formula C10H20BrNO and a molecular weight of 250.18 g/mol. Its IUPAC name is 2-(bromomethyl)-4-butyl-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-butyl-6-methylmorpholine
PubChem CID102936811
Molecular FormulaC10H20BrNO
Molecular Weight250.18 g/mol
Exact Mass249.07
IUPAC Name2-(bromomethyl)-4-butyl-6-methylmorpholine
SMILESCCCCN1CC(C)OC(CBr)C1
InChIInChI=1S/C10H20BrNO/c1-3-4-5-12-7-9(2)13-10(6-11)8-12/h9-10H,3-8H2,1-2H3
InChIKeyZMSBAIVVXAAYET-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(bromomethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
CID 107914046
(6-methyl-4-octylmorpholin-2-yl)methanamine
CID 102938785
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657
2-(bromomethyl)-4-(cyclopropylmethyl)-6-methylmorpholine
CID 102936772
2-(bromomethyl)-4-(cyclohexylmethyl)-6-methylmorpholine
CID 102936836
2-(bromomethyl)-6-methyl-4-[(4-methylmorpholin-2-yl)methyl]morpholine
CID 102936850
2-[(2S,6R)-2-ethyl-6-methylmorpholin-4-yl]ethanol
CID 125154641
[4-(3-ethoxypropyl)-6-methylmorpholin-2-yl]methanamine
CID 112512036
2-(bromomethyl)-6-methyl-4-[(4-methylphenyl)methyl]morpholine
CID 102936812
2-(chloromethyl)-6-methyl-4-(4-methylpentyl)morpholine
CID 102936587
2-(bromomethyl)-4-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-6-methylmorpholine
CID 102936921
2-[2-(chloromethyl)-6-methylmorpholin-4-yl]-N,N-diethylethanamine
CID 107914043

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-butyl-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-butyl-6-methylmorpholine (CID 102936811) is 2-(bromomethyl)-4-butyl-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-butyl-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-butyl-6-methylmorpholine is CCCCN1CC(C)OC(CBr)C1.
What is the InChIKey of 2-(bromomethyl)-4-butyl-6-methylmorpholine?
The InChIKey is ZMSBAIVVXAAYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO/c1-3-4-5-12-7-9(2)13-10(6-11)8-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-4-butyl-6-methylmorpholine?
2-(bromomethyl)-4-butyl-6-methylmorpholine has a molecular weight of 250.18 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-butyl-6-methylmorpholine is sourced from PubChem (CID 102936811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).