3-methoxybut-3-en-1-amine

C5H11NO — CID 89264894

IUPAC3-methoxybut-3-en-1-amine
SMILESC=C(CCN)OC
InChIInChI=1S/C5H11NO/c1-5(7-2)3-4-6/h1,3-4,6H2,2H3
InChIKeyVNSCIOYPARKRBK-UHFFFAOYSA-N
MW101.15 g/mol
LogP0.50
Rot. Bonds3

About 3-methoxybut-3-en-1-amine

3-methoxybut-3-en-1-amine (PubChem CID 89264894) has the molecular formula C5H11NO and a molecular weight of 101.15 g/mol. Its IUPAC name is 3-methoxybut-3-en-1-amine.

Molecular Properties

Compound Name3-methoxybut-3-en-1-amine
PubChem CID89264894
Molecular FormulaC5H11NO
Molecular Weight101.15 g/mol
Exact Mass101.08
IUPAC Name3-methoxybut-3-en-1-amine
SMILESC=C(CCN)OC
InChIInChI=1S/C5H11NO/c1-5(7-2)3-4-6/h1,3-4,6H2,2H3
InChIKeyVNSCIOYPARKRBK-UHFFFAOYSA-N
XLogP0.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxybut-3-en-1-amine?
The IUPAC name of 3-methoxybut-3-en-1-amine (CID 89264894) is 3-methoxybut-3-en-1-amine.
What is the SMILES notation for 3-methoxybut-3-en-1-amine?
The canonical SMILES for 3-methoxybut-3-en-1-amine is C=C(CCN)OC.
What is the InChIKey of 3-methoxybut-3-en-1-amine?
The InChIKey is VNSCIOYPARKRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO/c1-5(7-2)3-4-6/h1,3-4,6H2,2H3.
What are the key properties of 3-methoxybut-3-en-1-amine?
3-methoxybut-3-en-1-amine has a molecular weight of 101.15 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxybut-3-en-1-amine is sourced from PubChem (CID 89264894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).