1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol

C9H19NO2 — CID 88929026

IUPAC1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)CN(C)CCO
InChIInChI=1S/C9H19NO2/c1-8(2)6-9(12)7-10(3)4-5-11/h9,11-12H,1,4-7H2,2-3H3
InChIKeyFRBYJOOGJFPEQA-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.24
Rot. Bonds6

About 1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol

1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol (PubChem CID 88929026) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol
PubChem CID88929026
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)CN(C)CCO
InChIInChI=1S/C9H19NO2/c1-8(2)6-9(12)7-10(3)4-5-11/h9,11-12H,1,4-7H2,2-3H3
InChIKeyFRBYJOOGJFPEQA-UHFFFAOYSA-N
XLogP0.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol (CID 88929026) is 1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol is C=C(C)CC(O)CN(C)CCO.
What is the InChIKey of 1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol?
The InChIKey is FRBYJOOGJFPEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(2)6-9(12)7-10(3)4-5-11/h9,11-12H,1,4-7H2,2-3H3.
What are the key properties of 1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol?
1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(methyl)amino]-4-methylpent-4-en-2-ol is sourced from PubChem (CID 88929026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).