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

C7H17NO — CID 87835248

IUPAC1-methoxy-N,N-dimethylbutan-1-amine
SMILESCCCC(OC)N(C)C
InChIInChI=1S/C7H17NO/c1-5-6-7(9-4)8(2)3/h7H,5-6H2,1-4H3
InChIKeyYJKGPCOUJHRDFV-UHFFFAOYSA-N
MW131.22 g/mol
LogP1.32
Rot. Bonds4

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

1-methoxy-N,N-dimethylbutan-1-amine (PubChem CID 87835248) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 1-methoxy-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-methoxy-N,N-dimethylbutan-1-amine
PubChem CID87835248
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name1-methoxy-N,N-dimethylbutan-1-amine
SMILESCCCC(OC)N(C)C
InChIInChI=1S/C7H17NO/c1-5-6-7(9-4)8(2)3/h7H,5-6H2,1-4H3
InChIKeyYJKGPCOUJHRDFV-UHFFFAOYSA-N
XLogP1.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N,N-dimethylbutan-1-amine?
The IUPAC name of 1-methoxy-N,N-dimethylbutan-1-amine (CID 87835248) is 1-methoxy-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 1-methoxy-N,N-dimethylbutan-1-amine?
The canonical SMILES for 1-methoxy-N,N-dimethylbutan-1-amine is CCCC(OC)N(C)C.
What is the InChIKey of 1-methoxy-N,N-dimethylbutan-1-amine?
The InChIKey is YJKGPCOUJHRDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO/c1-5-6-7(9-4)8(2)3/h7H,5-6H2,1-4H3.
What are the key properties of 1-methoxy-N,N-dimethylbutan-1-amine?
1-methoxy-N,N-dimethylbutan-1-amine has a molecular weight of 131.22 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 87835248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).