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

C12H25NO2 — CID 114856674

IUPAC4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine
SMILESCNC(CCCOC)C1(C)CCCCO1
InChIInChI=1S/C12H25NO2/c1-12(8-4-5-10-15-12)11(13-2)7-6-9-14-3/h11,13H,4-10H2,1-3H3
InChIKeyDBRUQKXCGCJOLJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds6

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

4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine (PubChem CID 114856674) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine
PubChem CID114856674
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine
SMILESCNC(CCCOC)C1(C)CCCCO1
InChIInChI=1S/C12H25NO2/c1-12(8-4-5-10-15-12)11(13-2)7-6-9-14-3/h11,13H,4-10H2,1-3H3
InChIKeyDBRUQKXCGCJOLJ-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
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-(2-methyloxan-2-yl)butan-1-amine?
The IUPAC name of 4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine (CID 114856674) is 4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine is CNC(CCCOC)C1(C)CCCCO1.
What is the InChIKey of 4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine?
The InChIKey is DBRUQKXCGCJOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(8-4-5-10-15-12)11(13-2)7-6-9-14-3/h11,13H,4-10H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine?
4-methoxy-N-methyl-1-(2-methyloxan-2-yl)butan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 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-(2-methyloxan-2-yl)butan-1-amine is sourced from PubChem (CID 114856674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).