4-methoxy-N,N-dimethylbutan-1-amine

C7H17NO — CID 13115256

IUPAC4-methoxy-N,N-dimethylbutan-1-amine
SMILESCOCCCCN(C)C
InChIInChI=1S/C7H17NO/c1-8(2)6-4-5-7-9-3/h4-7H2,1-3H3
InChIKeyZNPJKSCIHJSEQZ-UHFFFAOYSA-N
MW131.22 g/mol
LogP0.97
Rot. Bonds5

About 4-methoxy-N,N-dimethylbutan-1-amine

4-methoxy-N,N-dimethylbutan-1-amine (PubChem CID 13115256) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethylbutan-1-amine
PubChem CID13115256
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name4-methoxy-N,N-dimethylbutan-1-amine
SMILESCOCCCCN(C)C
InChIInChI=1S/C7H17NO/c1-8(2)6-4-5-7-9-3/h4-7H2,1-3H3
InChIKeyZNPJKSCIHJSEQZ-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N-dimethylbutan-1-amine?
The IUPAC name of 4-methoxy-N,N-dimethylbutan-1-amine (CID 13115256) is 4-methoxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-methoxy-N,N-dimethylbutan-1-amine is COCCCCN(C)C.
What is the InChIKey of 4-methoxy-N,N-dimethylbutan-1-amine?
The InChIKey is ZNPJKSCIHJSEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-8(2)6-4-5-7-9-3/h4-7H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethylbutan-1-amine?
4-methoxy-N,N-dimethylbutan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 13115256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).