2-methoxy-N,N-dimethylbut-3-en-1-amine

C7H15NO — CID 20798624

IUPAC2-methoxy-N,N-dimethylbut-3-en-1-amine
SMILESC=CC(CN(C)C)OC
InChIInChI=1S/C7H15NO/c1-5-7(9-4)6-8(2)3/h5,7H,1,6H2,2-4H3
InChIKeyCGISNRRHKBTXGB-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.75
Rot. Bonds4

About 2-methoxy-N,N-dimethylbut-3-en-1-amine

2-methoxy-N,N-dimethylbut-3-en-1-amine (PubChem CID 20798624) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethylbut-3-en-1-amine.

Molecular Properties

Compound Name2-methoxy-N,N-dimethylbut-3-en-1-amine
PubChem CID20798624
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name2-methoxy-N,N-dimethylbut-3-en-1-amine
SMILESC=CC(CN(C)C)OC
InChIInChI=1S/C7H15NO/c1-5-7(9-4)6-8(2)3/h5,7H,1,6H2,2-4H3
InChIKeyCGISNRRHKBTXGB-UHFFFAOYSA-N
XLogP0.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethylbut-3-en-1-amine?
The IUPAC name of 2-methoxy-N,N-dimethylbut-3-en-1-amine (CID 20798624) is 2-methoxy-N,N-dimethylbut-3-en-1-amine.
What is the SMILES notation for 2-methoxy-N,N-dimethylbut-3-en-1-amine?
The canonical SMILES for 2-methoxy-N,N-dimethylbut-3-en-1-amine is C=CC(CN(C)C)OC.
What is the InChIKey of 2-methoxy-N,N-dimethylbut-3-en-1-amine?
The InChIKey is CGISNRRHKBTXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-5-7(9-4)6-8(2)3/h5,7H,1,6H2,2-4H3.
What are the key properties of 2-methoxy-N,N-dimethylbut-3-en-1-amine?
2-methoxy-N,N-dimethylbut-3-en-1-amine has a molecular weight of 129.20 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethylbut-3-en-1-amine is sourced from PubChem (CID 20798624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).