(1-ethylpyrrol-3-yl)methanamine

C7H12N2 — CID 66407752

IUPAC(1-ethylpyrrol-3-yl)methanamine
SMILESCCn1ccc(CN)c1
InChIInChI=1S/C7H12N2/c1-2-9-4-3-7(5-8)6-9/h3-4,6H,2,5,8H2,1H3
InChIKeyVWYWRMVYZDEIPA-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.97
Rot. Bonds2

About (1-ethylpyrrol-3-yl)methanamine

(1-ethylpyrrol-3-yl)methanamine (PubChem CID 66407752) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1-ethylpyrrol-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethylpyrrol-3-yl)methanamine
PubChem CID66407752
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1-ethylpyrrol-3-yl)methanamine
SMILESCCn1ccc(CN)c1
InChIInChI=1S/C7H12N2/c1-2-9-4-3-7(5-8)6-9/h3-4,6H,2,5,8H2,1H3
InChIKeyVWYWRMVYZDEIPA-UHFFFAOYSA-N
XLogP0.97
TPSA30.95 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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1-ethylpyrrol-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-ethylpyrrol-3-yl)methanamine?
The IUPAC name of (1-ethylpyrrol-3-yl)methanamine (CID 66407752) is (1-ethylpyrrol-3-yl)methanamine.
What is the SMILES notation for (1-ethylpyrrol-3-yl)methanamine?
The canonical SMILES for (1-ethylpyrrol-3-yl)methanamine is CCn1ccc(CN)c1.
What is the InChIKey of (1-ethylpyrrol-3-yl)methanamine?
The InChIKey is VWYWRMVYZDEIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-2-9-4-3-7(5-8)6-9/h3-4,6H,2,5,8H2,1H3.
What are the key properties of (1-ethylpyrrol-3-yl)methanamine?
(1-ethylpyrrol-3-yl)methanamine has a molecular weight of 124.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrrol-3-yl)methanamine is sourced from PubChem (CID 66407752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).