N-methyl-1-(1-methylpyrrol-2-yl)methanamine

C7H12N2 — CID 1096385

IUPACN-methyl-1-(1-methylpyrrol-2-yl)methanamine
SMILESCNCc1cccn1C
InChIInChI=1S/C7H12N2/c1-8-6-7-4-3-5-9(7)2/h3-5,8H,6H2,1-2H3
InChIKeyYEMKVBRHRNHHGE-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.74
Rot. Bonds2

About N-methyl-1-(1-methylpyrrol-2-yl)methanamine

N-methyl-1-(1-methylpyrrol-2-yl)methanamine (PubChem CID 1096385) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrrol-2-yl)methanamine
PubChem CID1096385
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-1-(1-methylpyrrol-2-yl)methanamine
SMILESCNCc1cccn1C
InChIInChI=1S/C7H12N2/c1-8-6-7-4-3-5-9(7)2/h3-5,8H,6H2,1-2H3
InChIKeyYEMKVBRHRNHHGE-UHFFFAOYSA-N
XLogP0.74
TPSA16.96 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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-(1-methylpyrrol-2-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 N-methyl-1-(1-methylpyrrol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(1-methylpyrrol-2-yl)methanamine (CID 1096385) is N-methyl-1-(1-methylpyrrol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrrol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrrol-2-yl)methanamine is CNCc1cccn1C.
What is the InChIKey of N-methyl-1-(1-methylpyrrol-2-yl)methanamine?
The InChIKey is YEMKVBRHRNHHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-8-6-7-4-3-5-9(7)2/h3-5,8H,6H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrrol-2-yl)methanamine?
N-methyl-1-(1-methylpyrrol-2-yl)methanamine has a molecular weight of 124.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrrol-2-yl)methanamine is sourced from PubChem (CID 1096385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).