1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol

C11H20N2O2 — CID 90945220

IUPAC1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol
SMILESCCNc1cc(O)n(CC(C)(C)C)c1O
InChIInChI=1S/C11H20N2O2/c1-5-12-8-6-9(14)13(10(8)15)7-11(2,3)4/h6,12,14-15H,5,7H2,1-4H3
InChIKeyQHBJOLAENQTQTI-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.38
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol

1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol (PubChem CID 90945220) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol
PubChem CID90945220
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol
SMILESCCNc1cc(O)n(CC(C)(C)C)c1O
InChIInChI=1S/C11H20N2O2/c1-5-12-8-6-9(14)13(10(8)15)7-11(2,3)4/h6,12,14-15H,5,7H2,1-4H3
InChIKeyQHBJOLAENQTQTI-UHFFFAOYSA-N
XLogP2.38
TPSA57.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1H-pyrrole-2,5-diol
CID 53947578
1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol
CID 54353036
3-(methylamino)-1H-pyrrole-2,5-diol
CID 91398721
1-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethyl]pyrrole-2,5-diol
CID 123225679
N-(2,5-dihydroxy-1-methylpyrrol-3-yl)-2,2,2-trifluoroacetamide
CID 91065552
3-[(2,5-Dihydroxy-1-methylpyrrol-3-yl)amino]-1-methylpyrrole-2,5-diol
CID 53679535
3-Amino-1-methylpyrrole-2,5-diol
CID 53798084
1-Nonyl-3-(nonylamino)pyrrole-2,5-diol
CID 53881041
1-Methyl-4-(methylamino)pyrrol-2-ol
CID 53967769
1-Decyl-3-(decylamino)pyrrole-2,5-diol
CID 53995147
3-(Heptylamino)-1-nonylpyrrole-2,5-diol
CID 54020850
3-[2-(Diethylamino)ethylamino]-1-nonylpyrrole-2,5-diol
CID 54114677

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol (CID 90945220) is 1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol is CCNc1cc(O)n(CC(C)(C)C)c1O.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol?
The InChIKey is QHBJOLAENQTQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-12-8-6-9(14)13(10(8)15)7-11(2,3)4/h6,12,14-15H,5,7H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol?
1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol has a molecular weight of 212.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-(ethylamino)pyrrole-2,5-diol is sourced from PubChem (CID 90945220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).