1-but-1-enoxy-N-methylethanamine

C7H15NO — CID 174790469

IUPAC1-but-1-enoxy-N-methylethanamine
SMILESCCC=COC(C)NC
InChIInChI=1S/C7H15NO/c1-4-5-6-9-7(2)8-3/h5-8H,4H2,1-3H3
InChIKeyKUWSYPCRHBIKTR-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.49
Rot. Bonds4

About 1-but-1-enoxy-N-methylethanamine

1-but-1-enoxy-N-methylethanamine (PubChem CID 174790469) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-but-1-enoxy-N-methylethanamine.

Molecular Properties

Compound Name1-but-1-enoxy-N-methylethanamine
PubChem CID174790469
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-but-1-enoxy-N-methylethanamine
SMILESCCC=COC(C)NC
InChIInChI=1S/C7H15NO/c1-4-5-6-9-7(2)8-3/h5-8H,4H2,1-3H3
InChIKeyKUWSYPCRHBIKTR-UHFFFAOYSA-N
XLogP1.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-enoxy-N-methylethanamine?
The IUPAC name of 1-but-1-enoxy-N-methylethanamine (CID 174790469) is 1-but-1-enoxy-N-methylethanamine.
What is the SMILES notation for 1-but-1-enoxy-N-methylethanamine?
The canonical SMILES for 1-but-1-enoxy-N-methylethanamine is CCC=COC(C)NC.
What is the InChIKey of 1-but-1-enoxy-N-methylethanamine?
The InChIKey is KUWSYPCRHBIKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-5-6-9-7(2)8-3/h5-8H,4H2,1-3H3.
What are the key properties of 1-but-1-enoxy-N-methylethanamine?
1-but-1-enoxy-N-methylethanamine has a molecular weight of 129.20 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-enoxy-N-methylethanamine is sourced from PubChem (CID 174790469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).