[4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine

C11H24N2O2 — CID 104649820

IUPAC[4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine
SMILESCOCCCCN1CC(CN)OCC1C
InChIInChI=1S/C11H24N2O2/c1-10-9-15-11(7-12)8-13(10)5-3-4-6-14-2/h10-11H,3-9,12H2,1-2H3
InChIKeyCAGJHBLMJFAZHK-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.46
Rot. Bonds6

About [4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine

[4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine (PubChem CID 104649820) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is [4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine
PubChem CID104649820
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name[4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine
SMILESCOCCCCN1CC(CN)OCC1C
InChIInChI=1S/C11H24N2O2/c1-10-9-15-11(7-12)8-13(10)5-3-4-6-14-2/h10-11H,3-9,12H2,1-2H3
InChIKeyCAGJHBLMJFAZHK-UHFFFAOYSA-N
XLogP0.46
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine?
The IUPAC name of [4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine (CID 104649820) is [4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine.
What is the SMILES notation for [4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine?
The canonical SMILES for [4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine is COCCCCN1CC(CN)OCC1C.
What is the InChIKey of [4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine?
The InChIKey is CAGJHBLMJFAZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-10-9-15-11(7-12)8-13(10)5-3-4-6-14-2/h10-11H,3-9,12H2,1-2H3.
What are the key properties of [4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine?
[4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine has a molecular weight of 216.32 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxybutyl)-5-methylmorpholin-2-yl]methanamine is sourced from PubChem (CID 104649820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).