1-methoxy-3-methylbut-3-en-1-amine

C6H13NO — CID 143762994

IUPAC1-methoxy-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)OC
InChIInChI=1S/C6H13NO/c1-5(2)4-6(7)8-3/h6H,1,4,7H2,2-3H3
InChIKeyFXSIVLDYAMSZME-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.88
Rot. Bonds3

About 1-methoxy-3-methylbut-3-en-1-amine

1-methoxy-3-methylbut-3-en-1-amine (PubChem CID 143762994) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 1-methoxy-3-methylbut-3-en-1-amine.

Molecular Properties

Compound Name1-methoxy-3-methylbut-3-en-1-amine
PubChem CID143762994
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name1-methoxy-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(N)OC
InChIInChI=1S/C6H13NO/c1-5(2)4-6(7)8-3/h6H,1,4,7H2,2-3H3
InChIKeyFXSIVLDYAMSZME-UHFFFAOYSA-N
XLogP0.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methylbut-3-en-1-amine?
The IUPAC name of 1-methoxy-3-methylbut-3-en-1-amine (CID 143762994) is 1-methoxy-3-methylbut-3-en-1-amine.
What is the SMILES notation for 1-methoxy-3-methylbut-3-en-1-amine?
The canonical SMILES for 1-methoxy-3-methylbut-3-en-1-amine is C=C(C)CC(N)OC.
What is the InChIKey of 1-methoxy-3-methylbut-3-en-1-amine?
The InChIKey is FXSIVLDYAMSZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)4-6(7)8-3/h6H,1,4,7H2,2-3H3.
What are the key properties of 1-methoxy-3-methylbut-3-en-1-amine?
1-methoxy-3-methylbut-3-en-1-amine has a molecular weight of 115.18 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methylbut-3-en-1-amine is sourced from PubChem (CID 143762994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).