1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine

C11H20N2 — CID 79102217

IUPAC1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine
SMILESCCC(C)Cn1cccc1C(C)N
InChIInChI=1S/C11H20N2/c1-4-9(2)8-13-7-5-6-11(13)10(3)12/h5-7,9-10H,4,8,12H2,1-3H3
InChIKeyOHKHTOZQQUDXEI-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.55
Rot. Bonds4

About 1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine

1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine (PubChem CID 79102217) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine
PubChem CID79102217
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine
SMILESCCC(C)Cn1cccc1C(C)N
InChIInChI=1S/C11H20N2/c1-4-9(2)8-13-7-5-6-11(13)10(3)12/h5-7,9-10H,4,8,12H2,1-3H3
InChIKeyOHKHTOZQQUDXEI-UHFFFAOYSA-N
XLogP2.55
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine?
The IUPAC name of 1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine (CID 79102217) is 1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine?
The canonical SMILES for 1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine is CCC(C)Cn1cccc1C(C)N.
What is the InChIKey of 1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine?
The InChIKey is OHKHTOZQQUDXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-9(2)8-13-7-5-6-11(13)10(3)12/h5-7,9-10H,4,8,12H2,1-3H3.
What are the key properties of 1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine?
1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylbutyl)pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).