4-butyl-2-methylmorpholine

C9H19NO — CID 13198118

IUPAC4-butyl-2-methylmorpholine
SMILESCCCCN1CCOC(C)C1
InChIInChI=1S/C9H19NO/c1-3-4-5-10-6-7-11-9(2)8-10/h9H,3-8H2,1-2H3
InChIKeyBKPRTYKZSCEWAS-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds3

About 4-butyl-2-methylmorpholine

4-butyl-2-methylmorpholine (PubChem CID 13198118) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-butyl-2-methylmorpholine.

Molecular Properties

Compound Name4-butyl-2-methylmorpholine
PubChem CID13198118
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-butyl-2-methylmorpholine
SMILESCCCCN1CCOC(C)C1
InChIInChI=1S/C9H19NO/c1-3-4-5-10-6-7-11-9(2)8-10/h9H,3-8H2,1-2H3
InChIKeyBKPRTYKZSCEWAS-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methylmorpholine?
The IUPAC name of 4-butyl-2-methylmorpholine (CID 13198118) is 4-butyl-2-methylmorpholine.
What is the SMILES notation for 4-butyl-2-methylmorpholine?
The canonical SMILES for 4-butyl-2-methylmorpholine is CCCCN1CCOC(C)C1.
What is the InChIKey of 4-butyl-2-methylmorpholine?
The InChIKey is BKPRTYKZSCEWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-10-6-7-11-9(2)8-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-butyl-2-methylmorpholine?
4-butyl-2-methylmorpholine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methylmorpholine is sourced from PubChem (CID 13198118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).