2-butyl-4-ethyl-3-propylmorpholine

C13H27NO — CID 70861614

IUPAC2-butyl-4-ethyl-3-propylmorpholine
SMILESCCCCC1OCCN(CC)C1CCC
InChIInChI=1S/C13H27NO/c1-4-7-9-13-12(8-5-2)14(6-3)10-11-15-13/h12-13H,4-11H2,1-3H3
InChIKeyAQNUGGZPJVMHGY-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.07
Rot. Bonds6

About 2-butyl-4-ethyl-3-propylmorpholine

2-butyl-4-ethyl-3-propylmorpholine (PubChem CID 70861614) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-butyl-4-ethyl-3-propylmorpholine.

Molecular Properties

Compound Name2-butyl-4-ethyl-3-propylmorpholine
PubChem CID70861614
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-butyl-4-ethyl-3-propylmorpholine
SMILESCCCCC1OCCN(CC)C1CCC
InChIInChI=1S/C13H27NO/c1-4-7-9-13-12(8-5-2)14(6-3)10-11-15-13/h12-13H,4-11H2,1-3H3
InChIKeyAQNUGGZPJVMHGY-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-ethyl-3-propylmorpholine?
The IUPAC name of 2-butyl-4-ethyl-3-propylmorpholine (CID 70861614) is 2-butyl-4-ethyl-3-propylmorpholine.
What is the SMILES notation for 2-butyl-4-ethyl-3-propylmorpholine?
The canonical SMILES for 2-butyl-4-ethyl-3-propylmorpholine is CCCCC1OCCN(CC)C1CCC.
What is the InChIKey of 2-butyl-4-ethyl-3-propylmorpholine?
The InChIKey is AQNUGGZPJVMHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-9-13-12(8-5-2)14(6-3)10-11-15-13/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-butyl-4-ethyl-3-propylmorpholine?
2-butyl-4-ethyl-3-propylmorpholine has a molecular weight of 213.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-ethyl-3-propylmorpholine is sourced from PubChem (CID 70861614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).