1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol

C8H17NO3 — CID 89432294

IUPAC1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol
SMILESC=C(C)COOCC(O)CNC
InChIInChI=1S/C8H17NO3/c1-7(2)5-11-12-6-8(10)4-9-3/h8-10H,1,4-6H2,2-3H3
InChIKeyDOHPYXZZMCIJPX-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.09
Rot. Bonds7

About 1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol

1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol (PubChem CID 89432294) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol
PubChem CID89432294
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol
SMILESC=C(C)COOCC(O)CNC
InChIInChI=1S/C8H17NO3/c1-7(2)5-11-12-6-8(10)4-9-3/h8-10H,1,4-6H2,2-3H3
InChIKeyDOHPYXZZMCIJPX-UHFFFAOYSA-N
XLogP0.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-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-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol?
The IUPAC name of 1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol (CID 89432294) is 1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol?
The canonical SMILES for 1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol is C=C(C)COOCC(O)CNC.
What is the InChIKey of 1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol?
The InChIKey is DOHPYXZZMCIJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-7(2)5-11-12-6-8(10)4-9-3/h8-10H,1,4-6H2,2-3H3.
What are the key properties of 1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol?
1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol has a molecular weight of 175.23 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-(2-methylprop-2-enylperoxy)propan-2-ol is sourced from PubChem (CID 89432294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).