3-(methoxymethyl)but-3-en-1-amine

C6H13NO — CID 58059983

IUPAC3-(methoxymethyl)but-3-en-1-amine
SMILESC=C(CCN)COC
InChIInChI=1S/C6H13NO/c1-6(3-4-7)5-8-2/h1,3-5,7H2,2H3
InChIKeyVXVQUMJXSOYQMH-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.54
Rot. Bonds4

About 3-(methoxymethyl)but-3-en-1-amine

3-(methoxymethyl)but-3-en-1-amine (PubChem CID 58059983) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-(methoxymethyl)but-3-en-1-amine.

Molecular Properties

Compound Name3-(methoxymethyl)but-3-en-1-amine
PubChem CID58059983
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-(methoxymethyl)but-3-en-1-amine
SMILESC=C(CCN)COC
InChIInChI=1S/C6H13NO/c1-6(3-4-7)5-8-2/h1,3-5,7H2,2H3
InChIKeyVXVQUMJXSOYQMH-UHFFFAOYSA-N
XLogP0.54
TPSA35.25 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 ≤ 50.54
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 3-(methoxymethyl)but-3-en-1-amine?
The IUPAC name of 3-(methoxymethyl)but-3-en-1-amine (CID 58059983) is 3-(methoxymethyl)but-3-en-1-amine.
What is the SMILES notation for 3-(methoxymethyl)but-3-en-1-amine?
The canonical SMILES for 3-(methoxymethyl)but-3-en-1-amine is C=C(CCN)COC.
What is the InChIKey of 3-(methoxymethyl)but-3-en-1-amine?
The InChIKey is VXVQUMJXSOYQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-6(3-4-7)5-8-2/h1,3-5,7H2,2H3.
What are the key properties of 3-(methoxymethyl)but-3-en-1-amine?
3-(methoxymethyl)but-3-en-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)but-3-en-1-amine is sourced from PubChem (CID 58059983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).