4-methoxy-N-methylbut-2-en-1-amine

C6H13NO — CID 54452515

IUPAC4-methoxy-N-methylbut-2-en-1-amine
SMILESCNCC=CCOC
InChIInChI=1S/C6H13NO/c1-7-5-3-4-6-8-2/h3-4,7H,5-6H2,1-2H3
InChIKeyLJMHCCDLXPKXEG-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.41
Rot. Bonds4

About 4-methoxy-N-methylbut-2-en-1-amine

4-methoxy-N-methylbut-2-en-1-amine (PubChem CID 54452515) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 4-methoxy-N-methylbut-2-en-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methylbut-2-en-1-amine
PubChem CID54452515
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name4-methoxy-N-methylbut-2-en-1-amine
SMILESCNCC=CCOC
InChIInChI=1S/C6H13NO/c1-7-5-3-4-6-8-2/h3-4,7H,5-6H2,1-2H3
InChIKeyLJMHCCDLXPKXEG-UHFFFAOYSA-N
XLogP0.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.41
H-Bond Donors ≤ 51
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 4-methoxy-N-methylbut-2-en-1-amine?
The IUPAC name of 4-methoxy-N-methylbut-2-en-1-amine (CID 54452515) is 4-methoxy-N-methylbut-2-en-1-amine.
What is the SMILES notation for 4-methoxy-N-methylbut-2-en-1-amine?
The canonical SMILES for 4-methoxy-N-methylbut-2-en-1-amine is CNCC=CCOC.
What is the InChIKey of 4-methoxy-N-methylbut-2-en-1-amine?
The InChIKey is LJMHCCDLXPKXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-7-5-3-4-6-8-2/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 4-methoxy-N-methylbut-2-en-1-amine?
4-methoxy-N-methylbut-2-en-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methylbut-2-en-1-amine is sourced from PubChem (CID 54452515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).