1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine

C9H16N2 — CID 118119679

IUPAC1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine
SMILESCNC(C)C1=NC(C)=C(C)C1
InChIInChI=1S/C9H16N2/c1-6-5-9(8(3)10-4)11-7(6)2/h8,10H,5H2,1-4H3
InChIKeyKABIIMSLPAECCC-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.73
Rot. Bonds2

About 1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine

1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine (PubChem CID 118119679) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine
PubChem CID118119679
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine
SMILESCNC(C)C1=NC(C)=C(C)C1
InChIInChI=1S/C9H16N2/c1-6-5-9(8(3)10-4)11-7(6)2/h8,10H,5H2,1-4H3
InChIKeyKABIIMSLPAECCC-UHFFFAOYSA-N
XLogP1.73
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine 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-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine?
The IUPAC name of 1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine (CID 118119679) is 1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine is CNC(C)C1=NC(C)=C(C)C1.
What is the InChIKey of 1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine?
The InChIKey is KABIIMSLPAECCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-5-9(8(3)10-4)11-7(6)2/h8,10H,5H2,1-4H3.
What are the key properties of 1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine?
1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-3H-pyrrol-2-yl)-N-methylethanamine is sourced from PubChem (CID 118119679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).