[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine

C11H20N2O — CID 112591068

IUPAC[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine
SMILESCC(C)(C)OCCn1cccc1CN
InChIInChI=1S/C11H20N2O/c1-11(2,3)14-8-7-13-6-4-5-10(13)9-12/h4-6H,7-9,12H2,1-3H3
InChIKeyMLESBOFRAXZKOQ-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.76
Rot. Bonds4

About [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine

[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine (PubChem CID 112591068) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine
PubChem CID112591068
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine
SMILESCC(C)(C)OCCn1cccc1CN
InChIInChI=1S/C11H20N2O/c1-11(2,3)14-8-7-13-6-4-5-10(13)9-12/h4-6H,7-9,12H2,1-3H3
InChIKeyMLESBOFRAXZKOQ-UHFFFAOYSA-N
XLogP1.76
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine?
The IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine (CID 112591068) is [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine?
The canonical SMILES for [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine is CC(C)(C)OCCn1cccc1CN.
What is the InChIKey of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine?
The InChIKey is MLESBOFRAXZKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,3)14-8-7-13-6-4-5-10(13)9-12/h4-6H,7-9,12H2,1-3H3.
What are the key properties of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine?
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine has a molecular weight of 196.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine is sourced from PubChem (CID 112591068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).