4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine

C13H26BrNO — CID 65015766

IUPAC4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC(CBr)C(C)(C)C)CC(C)O1
InChIInChI=1S/C13H26BrNO/c1-10-7-15(8-11(2)16-10)9-12(6-14)13(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyIRTUXBXSFBLEBB-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.15
Rot. Bonds3

About 4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine

4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine (PubChem CID 65015766) has the molecular formula C13H26BrNO and a molecular weight of 292.26 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine
PubChem CID65015766
Molecular FormulaC13H26BrNO
Molecular Weight292.26 g/mol
Exact Mass291.12
IUPAC Name4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine
SMILESCC1CN(CC(CBr)C(C)(C)C)CC(C)O1
InChIInChI=1S/C13H26BrNO/c1-10-7-15(8-11(2)16-10)9-12(6-14)13(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyIRTUXBXSFBLEBB-UHFFFAOYSA-N
XLogP3.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine (CID 65015766) is 4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine is CC1CN(CC(CBr)C(C)(C)C)CC(C)O1.
What is the InChIKey of 4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine?
The InChIKey is IRTUXBXSFBLEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrNO/c1-10-7-15(8-11(2)16-10)9-12(6-14)13(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine?
4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine has a molecular weight of 292.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-3,3-dimethylbutyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 65015766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).