1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine

C13H24N2 — CID 82928163

IUPAC1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine
SMILESCCC(CC)Cn1cccc1C(C)NC
InChIInChI=1S/C13H24N2/c1-5-12(6-2)10-15-9-7-8-13(15)11(3)14-4/h7-9,11-12,14H,5-6,10H2,1-4H3
InChIKeyAHRRPLSENJHLNH-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.20
Rot. Bonds6

About 1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine

1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine (PubChem CID 82928163) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine
PubChem CID82928163
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine
SMILESCCC(CC)Cn1cccc1C(C)NC
InChIInChI=1S/C13H24N2/c1-5-12(6-2)10-15-9-7-8-13(15)11(3)14-4/h7-9,11-12,14H,5-6,10H2,1-4H3
InChIKeyAHRRPLSENJHLNH-UHFFFAOYSA-N
XLogP3.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine (CID 82928163) is 1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine is CCC(CC)Cn1cccc1C(C)NC.
What is the InChIKey of 1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine?
The InChIKey is AHRRPLSENJHLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-12(6-2)10-15-9-7-8-13(15)11(3)14-4/h7-9,11-12,14H,5-6,10H2,1-4H3.
What are the key properties of 1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine?
1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine has a molecular weight of 208.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutyl)pyrrol-2-yl]-N-methylethanamine is sourced from PubChem (CID 82928163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).