2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol

C7H15NO2 — CID 18364023

IUPAC2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol
SMILESC=CC(C)(CO)NCCO
InChIInChI=1S/C7H15NO2/c1-3-7(2,6-10)8-4-5-9/h3,8-10H,1,4-6H2,2H3
InChIKeyQCVUKOFGCVLASI-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.49
Rot. Bonds5

About 2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol

2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol (PubChem CID 18364023) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol
PubChem CID18364023
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol
SMILESC=CC(C)(CO)NCCO
InChIInChI=1S/C7H15NO2/c1-3-7(2,6-10)8-4-5-9/h3,8-10H,1,4-6H2,2H3
InChIKeyQCVUKOFGCVLASI-UHFFFAOYSA-N
XLogP-0.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol?
The IUPAC name of 2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol (CID 18364023) is 2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol is C=CC(C)(CO)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol?
The InChIKey is QCVUKOFGCVLASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-7(2,6-10)8-4-5-9/h3,8-10H,1,4-6H2,2H3.
What are the key properties of 2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol?
2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol has a molecular weight of 145.20 g/mol, XLogP of -0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-methylbut-3-en-1-ol is sourced from PubChem (CID 18364023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).