N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine

C7H12N2 — CID 58760431

IUPACN-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine
SMILESCNCC1=NC(C)=CC1
InChIInChI=1S/C7H12N2/c1-6-3-4-7(9-6)5-8-2/h3,8H,4-5H2,1-2H3
InChIKeyVQZLXHDGXKFEQJ-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.95
Rot. Bonds2

About N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine

N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine (PubChem CID 58760431) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine
PubChem CID58760431
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine
SMILESCNCC1=NC(C)=CC1
InChIInChI=1S/C7H12N2/c1-6-3-4-7(9-6)5-8-2/h3,8H,4-5H2,1-2H3
InChIKeyVQZLXHDGXKFEQJ-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine (CID 58760431) is N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine is CNCC1=NC(C)=CC1.
What is the InChIKey of N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine?
The InChIKey is VQZLXHDGXKFEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-3-4-7(9-6)5-8-2/h3,8H,4-5H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine?
N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine has a molecular weight of 124.19 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-3H-pyrrol-2-yl)methanamine is sourced from PubChem (CID 58760431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).