1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol

C10H21NO2 — CID 114496866

IUPAC1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol
SMILESC=CCN(CCO)CC(C)(O)CC
InChIInChI=1S/C10H21NO2/c1-4-6-11(7-8-12)9-10(3,13)5-2/h4,12-13H,1,5-9H2,2-3H3
InChIKeyXCJWBPBOHMXGQU-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.63
Rot. Bonds7

About 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol

1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol (PubChem CID 114496866) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol
PubChem CID114496866
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol
SMILESC=CCN(CCO)CC(C)(O)CC
InChIInChI=1S/C10H21NO2/c1-4-6-11(7-8-12)9-10(3,13)5-2/h4,12-13H,1,5-9H2,2-3H3
InChIKeyXCJWBPBOHMXGQU-UHFFFAOYSA-N
XLogP0.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-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

Related Compounds

2-[(2-hydroxy-2-methylbutyl)-prop-2-enylamino]acetic acid
CID 114495036
2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 115631860
1-[2-hydroxyethyl(prop-2-enyl)amino]-2-phenylpropan-2-ol
CID 113339929
1-[2-hydroxyethyl(2-methoxyethyl)amino]-2-methylbutan-2-ol
CID 114495810
2-[pentyl(prop-2-enyl)amino]ethanol
CID 115623581
ethoxyperoxyethane;2-[2-hydroxyethyl(prop-2-enyl)amino]ethanol
CID 175390899
5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
CID 111565160
2-[2-methoxyethyl(prop-2-enyl)amino]ethanol
CID 115613713
2-[2-ethylhexyl(prop-2-enyl)amino]ethanol
CID 104627908
6-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylhexanenitrile
CID 106713825
2-[2-[bis(prop-2-enyl)amino]ethyl-methylamino]ethanol
CID 87572084
N'-acetyl-2-[2-hydroxyethyl(prop-2-enyl)amino]acetohydrazide
CID 115747968

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol (CID 114496866) is 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol is C=CCN(CCO)CC(C)(O)CC.
What is the InChIKey of 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol?
The InChIKey is XCJWBPBOHMXGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-11(7-8-12)9-10(3,13)5-2/h4,12-13H,1,5-9H2,2-3H3.
What are the key properties of 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol?
1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(prop-2-enyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 114496866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).