2-(2-methyl-3H-pyrrol-4-yl)ethanamine

C7H12N2 — CID 177319784

IUPAC2-(2-methyl-3H-pyrrol-4-yl)ethanamine
SMILESCC1=NC=C(CCN)C1
InChIInChI=1S/C7H12N2/c1-6-4-7(2-3-8)5-9-6/h5H,2-4,8H2,1H3
InChIKeyLLBXHWGANJLASN-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.08
Rot. Bonds2

About 2-(2-methyl-3H-pyrrol-4-yl)ethanamine

2-(2-methyl-3H-pyrrol-4-yl)ethanamine (PubChem CID 177319784) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-(2-methyl-3H-pyrrol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-3H-pyrrol-4-yl)ethanamine
PubChem CID177319784
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-(2-methyl-3H-pyrrol-4-yl)ethanamine
SMILESCC1=NC=C(CCN)C1
InChIInChI=1S/C7H12N2/c1-6-4-7(2-3-8)5-9-6/h5H,2-4,8H2,1H3
InChIKeyLLBXHWGANJLASN-UHFFFAOYSA-N
XLogP1.08
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methyl-3H-pyrrol-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-pyrrol-4-yl)ethanamine?
The IUPAC name of 2-(2-methyl-3H-pyrrol-4-yl)ethanamine (CID 177319784) is 2-(2-methyl-3H-pyrrol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-3H-pyrrol-4-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-3H-pyrrol-4-yl)ethanamine is CC1=NC=C(CCN)C1.
What is the InChIKey of 2-(2-methyl-3H-pyrrol-4-yl)ethanamine?
The InChIKey is LLBXHWGANJLASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-4-7(2-3-8)5-9-6/h5H,2-4,8H2,1H3.
What are the key properties of 2-(2-methyl-3H-pyrrol-4-yl)ethanamine?
2-(2-methyl-3H-pyrrol-4-yl)ethanamine has a molecular weight of 124.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-pyrrol-4-yl)ethanamine is sourced from PubChem (CID 177319784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).