4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine

C11H23NO2 — CID 105055058

IUPAC4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine
SMILESCNC(CCCOC)C1CCCCO1
InChIInChI=1S/C11H23NO2/c1-12-10(6-5-8-13-2)11-7-3-4-9-14-11/h10-12H,3-9H2,1-2H3
InChIKeyGNRFWDZJUABTKQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.57
Rot. Bonds6

About 4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine

4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine (PubChem CID 105055058) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine
PubChem CID105055058
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine
SMILESCNC(CCCOC)C1CCCCO1
InChIInChI=1S/C11H23NO2/c1-12-10(6-5-8-13-2)11-7-3-4-9-14-11/h10-12H,3-9H2,1-2H3
InChIKeyGNRFWDZJUABTKQ-UHFFFAOYSA-N
XLogP1.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine?
The IUPAC name of 4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine (CID 105055058) is 4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine is CNC(CCCOC)C1CCCCO1.
What is the InChIKey of 4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine?
The InChIKey is GNRFWDZJUABTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-12-10(6-5-8-13-2)11-7-3-4-9-14-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine?
4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-(oxan-2-yl)butan-1-amine is sourced from PubChem (CID 105055058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).