ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine

C10H27NO2 — CID 176988687

IUPACethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine
SMILESCC.CC(C)(C)N.CC(C)(C)OO
InChIInChI=1S/C4H11N.C4H10O2.C2H6/c1-4(2,3)5;1-4(2,3)6-5;1-2/h5H2,1-3H3;5H,1-3H3;1-2H3
InChIKeyDLPLIYSXFAHICX-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.04
Rot. Bonds

About ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine

ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine (PubChem CID 176988687) has the molecular formula C10H27NO2 and a molecular weight of 193.33 g/mol. Its IUPAC name is ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine.

Molecular Properties

Compound Nameethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine
PubChem CID176988687
Molecular FormulaC10H27NO2
Molecular Weight193.33 g/mol
Exact Mass193.20
IUPAC Nameethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine
SMILESCC.CC(C)(C)N.CC(C)(C)OO
InChIInChI=1S/C4H11N.C4H10O2.C2H6/c1-4(2,3)5;1-4(2,3)6-5;1-2/h5H2,1-3H3;5H,1-3H3;1-2H3
InChIKeyDLPLIYSXFAHICX-UHFFFAOYSA-N
XLogP3.04
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine 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-hydroperoxy-2-methylpropane;2-methylpropan-2-ol
CID 88830033
ethane;2-methylpropan-2-amine
CID 142052554
2-hydroperoxy-2-methylpropane;2-methylpropane
CID 19861551
potassium;2-hydroperoxy-2-methylpropane;hypobromite
CID 157454596
CID 175795972
CID 175795972
tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
CID 159299187
bis(2-methylpropan-2-amine);dihydrochloride
CID 175186319
sodium;hydride;2-hydroperoxy-2-methylpropane;sulfuric acid
CID 173224228
2-hydroperoxy-2-methylpropane;nonane
CID 19855271
hydrogen peroxide;2-hydroperoxy-2-methylbutane;2-hydroperoxy-2-methylpropane
CID 172755800
2-hydroperoxy-2-methylpropane;2-methyloxirane
CID 158620192
tert-butyl hydrogen carbonate;2-methylpropan-2-amine
CID 173023605

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine?
The IUPAC name of ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine (CID 176988687) is ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine.
What is the SMILES notation for ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine?
The canonical SMILES for ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine is CC.CC(C)(C)N.CC(C)(C)OO.
What is the InChIKey of ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine?
The InChIKey is DLPLIYSXFAHICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N.C4H10O2.C2H6/c1-4(2,3)5;1-4(2,3)6-5;1-2/h5H2,1-3H3;5H,1-3H3;1-2H3.
What are the key properties of ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine?
ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine has a molecular weight of 193.33 g/mol, XLogP of 3.04, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroperoxy-2-methylpropane;2-methylpropan-2-amine is sourced from PubChem (CID 176988687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).