(1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine

C7H12N2 — CID 123561621

IUPAC(1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
SMILESCC1=CN=C([C@@H](C)N)C1
InChIInChI=1S/C7H12N2/c1-5-3-7(6(2)8)9-4-5/h4,6H,3,8H2,1-2H3/t6-/m1/s1
InChIKeyGQYJWTAPLZSYOK-ZCFIWIBFSA-N
MW124.19 g/mol
LogP1.08
Rot. Bonds1

About (1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine

(1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine (PubChem CID 123561621) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
PubChem CID123561621
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine
SMILESCC1=CN=C([C@@H](C)N)C1
InChIInChI=1S/C7H12N2/c1-5-3-7(6(2)8)9-4-5/h4,6H,3,8H2,1-2H3/t6-/m1/s1
InChIKeyGQYJWTAPLZSYOK-ZCFIWIBFSA-N
XLogP1.08
TPSA38.38 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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(4-methyl-3H-pyrrol-2-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 (1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine?
The IUPAC name of (1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine (CID 123561621) is (1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine.
What is the SMILES notation for (1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine?
The canonical SMILES for (1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine is CC1=CN=C([C@@H](C)N)C1.
What is the InChIKey of (1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine?
The InChIKey is GQYJWTAPLZSYOK-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-3-7(6(2)8)9-4-5/h4,6H,3,8H2,1-2H3/t6-/m1/s1.
What are the key properties of (1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine?
(1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine has a molecular weight of 124.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-methyl-3H-pyrrol-2-yl)ethanamine is sourced from PubChem (CID 123561621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).