1-(1-methylpyrrol-3-yl)ethanamine

C7H12N2 — CID 22891637

IUPAC1-(1-methylpyrrol-3-yl)ethanamine
SMILESCC(N)c1ccn(C)c1
InChIInChI=1S/C7H12N2/c1-6(8)7-3-4-9(2)5-7/h3-6H,8H2,1-2H3
InChIKeyLOCUKVKZMLTDJC-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.04
Rot. Bonds1

About 1-(1-methylpyrrol-3-yl)ethanamine

1-(1-methylpyrrol-3-yl)ethanamine (PubChem CID 22891637) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-(1-methylpyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(1-methylpyrrol-3-yl)ethanamine
PubChem CID22891637
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-(1-methylpyrrol-3-yl)ethanamine
SMILESCC(N)c1ccn(C)c1
InChIInChI=1S/C7H12N2/c1-6(8)7-3-4-9(2)5-7/h3-6H,8H2,1-2H3
InChIKeyLOCUKVKZMLTDJC-UHFFFAOYSA-N
XLogP1.04
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-3-yl)ethanamine?
The IUPAC name of 1-(1-methylpyrrol-3-yl)ethanamine (CID 22891637) is 1-(1-methylpyrrol-3-yl)ethanamine.
What is the SMILES notation for 1-(1-methylpyrrol-3-yl)ethanamine?
The canonical SMILES for 1-(1-methylpyrrol-3-yl)ethanamine is CC(N)c1ccn(C)c1.
What is the InChIKey of 1-(1-methylpyrrol-3-yl)ethanamine?
The InChIKey is LOCUKVKZMLTDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(8)7-3-4-9(2)5-7/h3-6H,8H2,1-2H3.
What are the key properties of 1-(1-methylpyrrol-3-yl)ethanamine?
1-(1-methylpyrrol-3-yl)ethanamine has a molecular weight of 124.19 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-3-yl)ethanamine is sourced from PubChem (CID 22891637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).