3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine

C12H25NO2 — CID 103033344

IUPAC3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
SMILESCOC(C)(C)CCNCC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-12(2,14-3)6-7-13-10-11-4-8-15-9-5-11/h11,13H,4-10H2,1-3H3
InChIKeyNHXLKFAXQIOLIS-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds6

About 3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine

3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine (PubChem CID 103033344) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
PubChem CID103033344
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
SMILESCOC(C)(C)CCNCC1CCOCC1
InChIInChI=1S/C12H25NO2/c1-12(2,14-3)6-7-13-10-11-4-8-15-9-5-11/h11,13H,4-10H2,1-3H3
InChIKeyNHXLKFAXQIOLIS-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
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 3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine (CID 103033344) is 3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine is COC(C)(C)CCNCC1CCOCC1.
What is the InChIKey of 3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
The InChIKey is NHXLKFAXQIOLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-12(2,14-3)6-7-13-10-11-4-8-15-9-5-11/h11,13H,4-10H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 103033344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).