(1-ethyl-2-methylpyrrol-3-yl)methanamine

C8H14N2 — CID 130479626

IUPAC(1-ethyl-2-methylpyrrol-3-yl)methanamine
SMILESCCn1ccc(CN)c1C
InChIInChI=1S/C8H14N2/c1-3-10-5-4-8(6-9)7(10)2/h4-5H,3,6,9H2,1-2H3
InChIKeyJCJYFTJZZUJVGA-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.28
Rot. Bonds2

About (1-ethyl-2-methylpyrrol-3-yl)methanamine

(1-ethyl-2-methylpyrrol-3-yl)methanamine (PubChem CID 130479626) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (1-ethyl-2-methylpyrrol-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-2-methylpyrrol-3-yl)methanamine
PubChem CID130479626
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(1-ethyl-2-methylpyrrol-3-yl)methanamine
SMILESCCn1ccc(CN)c1C
InChIInChI=1S/C8H14N2/c1-3-10-5-4-8(6-9)7(10)2/h4-5H,3,6,9H2,1-2H3
InChIKeyJCJYFTJZZUJVGA-UHFFFAOYSA-N
XLogP1.28
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-ethyl-2-methylpyrrol-3-yl)methanamine 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 (1-ethyl-2-methylpyrrol-3-yl)methanamine?
The IUPAC name of (1-ethyl-2-methylpyrrol-3-yl)methanamine (CID 130479626) is (1-ethyl-2-methylpyrrol-3-yl)methanamine.
What is the SMILES notation for (1-ethyl-2-methylpyrrol-3-yl)methanamine?
The canonical SMILES for (1-ethyl-2-methylpyrrol-3-yl)methanamine is CCn1ccc(CN)c1C.
What is the InChIKey of (1-ethyl-2-methylpyrrol-3-yl)methanamine?
The InChIKey is JCJYFTJZZUJVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-10-5-4-8(6-9)7(10)2/h4-5H,3,6,9H2,1-2H3.
What are the key properties of (1-ethyl-2-methylpyrrol-3-yl)methanamine?
(1-ethyl-2-methylpyrrol-3-yl)methanamine has a molecular weight of 138.21 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2-methylpyrrol-3-yl)methanamine is sourced from PubChem (CID 130479626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).