4-(3-methylbutyl)-3-methylidenemorpholine

C10H19NO — CID 161248500

IUPAC4-(3-methylbutyl)-3-methylidenemorpholine
SMILESC=C1COCCN1CCC(C)C
InChIInChI=1S/C10H19NO/c1-9(2)4-5-11-6-7-12-8-10(11)3/h9H,3-8H2,1-2H3
InChIKeyNMMMMSPYQOZDLH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.88
Rot. Bonds3

About 4-(3-methylbutyl)-3-methylidenemorpholine

4-(3-methylbutyl)-3-methylidenemorpholine (PubChem CID 161248500) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(3-methylbutyl)-3-methylidenemorpholine.

Molecular Properties

Compound Name4-(3-methylbutyl)-3-methylidenemorpholine
PubChem CID161248500
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(3-methylbutyl)-3-methylidenemorpholine
SMILESC=C1COCCN1CCC(C)C
InChIInChI=1S/C10H19NO/c1-9(2)4-5-11-6-7-12-8-10(11)3/h9H,3-8H2,1-2H3
InChIKeyNMMMMSPYQOZDLH-UHFFFAOYSA-N
XLogP1.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutyl)-3-methylidenemorpholine?
The IUPAC name of 4-(3-methylbutyl)-3-methylidenemorpholine (CID 161248500) is 4-(3-methylbutyl)-3-methylidenemorpholine.
What is the SMILES notation for 4-(3-methylbutyl)-3-methylidenemorpholine?
The canonical SMILES for 4-(3-methylbutyl)-3-methylidenemorpholine is C=C1COCCN1CCC(C)C.
What is the InChIKey of 4-(3-methylbutyl)-3-methylidenemorpholine?
The InChIKey is NMMMMSPYQOZDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)4-5-11-6-7-12-8-10(11)3/h9H,3-8H2,1-2H3.
What are the key properties of 4-(3-methylbutyl)-3-methylidenemorpholine?
4-(3-methylbutyl)-3-methylidenemorpholine has a molecular weight of 169.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutyl)-3-methylidenemorpholine is sourced from PubChem (CID 161248500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).