N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine

C7H12N2 — CID 135177693

IUPACN-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine
SMILESCNCC1=CC(C)N=C1
InChIInChI=1S/C7H12N2/c1-6-3-7(4-8-2)5-9-6/h3,5-6,8H,4H2,1-2H3
InChIKeyZEQDWOFGAXEEOK-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.61
Rot. Bonds2

About N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine

N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine (PubChem CID 135177693) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine
PubChem CID135177693
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine
SMILESCNCC1=CC(C)N=C1
InChIInChI=1S/C7H12N2/c1-6-3-7(4-8-2)5-9-6/h3,5-6,8H,4H2,1-2H3
InChIKeyZEQDWOFGAXEEOK-UHFFFAOYSA-N
XLogP0.61
TPSA24.39 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 ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine (CID 135177693) is N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine is CNCC1=CC(C)N=C1.
What is the InChIKey of N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine?
The InChIKey is ZEQDWOFGAXEEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-3-7(4-8-2)5-9-6/h3,5-6,8H,4H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine?
N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine has a molecular weight of 124.19 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-2H-pyrrol-4-yl)methanamine is sourced from PubChem (CID 135177693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).