4-(3-methylbutyl)morpholine

C9H19NO — CID 12709911

IUPAC4-(3-methylbutyl)morpholine
SMILESCC(C)CCN1CCOCC1
InChIInChI=1S/C9H19NO/c1-9(2)3-4-10-5-7-11-8-6-10/h9H,3-8H2,1-2H3
InChIKeyPWPUPXJJCPIOGY-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds3

About 4-(3-methylbutyl)morpholine

4-(3-methylbutyl)morpholine (PubChem CID 12709911) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-(3-methylbutyl)morpholine.

Molecular Properties

Compound Name4-(3-methylbutyl)morpholine
PubChem CID12709911
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-(3-methylbutyl)morpholine
SMILESCC(C)CCN1CCOCC1
InChIInChI=1S/C9H19NO/c1-9(2)3-4-10-5-7-11-8-6-10/h9H,3-8H2,1-2H3
InChIKeyPWPUPXJJCPIOGY-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)morpholine?
The IUPAC name of 4-(3-methylbutyl)morpholine (CID 12709911) is 4-(3-methylbutyl)morpholine.
What is the SMILES notation for 4-(3-methylbutyl)morpholine?
The canonical SMILES for 4-(3-methylbutyl)morpholine is CC(C)CCN1CCOCC1.
What is the InChIKey of 4-(3-methylbutyl)morpholine?
The InChIKey is PWPUPXJJCPIOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2)3-4-10-5-7-11-8-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-(3-methylbutyl)morpholine?
4-(3-methylbutyl)morpholine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)morpholine is sourced from PubChem (CID 12709911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).