1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol

C9H19NO2 — CID 79733410

IUPAC1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol
SMILESC=CCC(C)(O)CNCCOC
InChIInChI=1S/C9H19NO2/c1-4-5-9(2,11)8-10-6-7-12-3/h4,10-11H,1,5-8H2,2-3H3
InChIKeyKTXOGRDBVYHXLJ-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.55
Rot. Bonds7

About 1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol

1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol (PubChem CID 79733410) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol
PubChem CID79733410
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol
SMILESC=CCC(C)(O)CNCCOC
InChIInChI=1S/C9H19NO2/c1-4-5-9(2,11)8-10-6-7-12-3/h4,10-11H,1,5-8H2,2-3H3
InChIKeyKTXOGRDBVYHXLJ-UHFFFAOYSA-N
XLogP0.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol (CID 79733410) is 1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol is C=CCC(C)(O)CNCCOC.
What is the InChIKey of 1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol?
The InChIKey is KTXOGRDBVYHXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-9(2,11)8-10-6-7-12-3/h4,10-11H,1,5-8H2,2-3H3.
What are the key properties of 1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol?
1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-2-methylpent-4-en-2-ol is sourced from PubChem (CID 79733410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).