1-(ethylamino)-2-methylbut-2-en-1-ol

C7H15NO — CID 123675222

IUPAC1-(ethylamino)-2-methylbut-2-en-1-ol
SMILESCC=C(C)C(O)NCC
InChIInChI=1S/C7H15NO/c1-4-6(3)7(9)8-5-2/h4,7-9H,5H2,1-3H3
InChIKeyQWHSELHVCYZZEF-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.88
Rot. Bonds3

About 1-(ethylamino)-2-methylbut-2-en-1-ol

1-(ethylamino)-2-methylbut-2-en-1-ol (PubChem CID 123675222) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-(ethylamino)-2-methylbut-2-en-1-ol.

Molecular Properties

Compound Name1-(ethylamino)-2-methylbut-2-en-1-ol
PubChem CID123675222
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-(ethylamino)-2-methylbut-2-en-1-ol
SMILESCC=C(C)C(O)NCC
InChIInChI=1S/C7H15NO/c1-4-6(3)7(9)8-5-2/h4,7-9H,5H2,1-3H3
InChIKeyQWHSELHVCYZZEF-UHFFFAOYSA-N
XLogP0.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.88
H-Bond Donors ≤ 52
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-(ethylamino)-2-methylbut-2-en-1-ol?
The IUPAC name of 1-(ethylamino)-2-methylbut-2-en-1-ol (CID 123675222) is 1-(ethylamino)-2-methylbut-2-en-1-ol.
What is the SMILES notation for 1-(ethylamino)-2-methylbut-2-en-1-ol?
The canonical SMILES for 1-(ethylamino)-2-methylbut-2-en-1-ol is CC=C(C)C(O)NCC.
What is the InChIKey of 1-(ethylamino)-2-methylbut-2-en-1-ol?
The InChIKey is QWHSELHVCYZZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-4-6(3)7(9)8-5-2/h4,7-9H,5H2,1-3H3.
What are the key properties of 1-(ethylamino)-2-methylbut-2-en-1-ol?
1-(ethylamino)-2-methylbut-2-en-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-2-methylbut-2-en-1-ol is sourced from PubChem (CID 123675222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).