(1,5-dimethylpyrrol-2-yl)methanamine

C7H12N2 — CID 737232

IUPAC(1,5-dimethylpyrrol-2-yl)methanamine
SMILESCc1ccc(CN)n1C
InChIInChI=1S/C7H12N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,5,8H2,1-2H3
InChIKeyKMUHAJOXPNPERW-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.79
Rot. Bonds1

About (1,5-dimethylpyrrol-2-yl)methanamine

(1,5-dimethylpyrrol-2-yl)methanamine (PubChem CID 737232) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (1,5-dimethylpyrrol-2-yl)methanamine.

Molecular Properties

Compound Name(1,5-dimethylpyrrol-2-yl)methanamine
PubChem CID737232
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(1,5-dimethylpyrrol-2-yl)methanamine
SMILESCc1ccc(CN)n1C
InChIInChI=1S/C7H12N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,5,8H2,1-2H3
InChIKeyKMUHAJOXPNPERW-UHFFFAOYSA-N
XLogP0.79
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrrol-2-yl)methanamine?
The IUPAC name of (1,5-dimethylpyrrol-2-yl)methanamine (CID 737232) is (1,5-dimethylpyrrol-2-yl)methanamine.
What is the SMILES notation for (1,5-dimethylpyrrol-2-yl)methanamine?
The canonical SMILES for (1,5-dimethylpyrrol-2-yl)methanamine is Cc1ccc(CN)n1C.
What is the InChIKey of (1,5-dimethylpyrrol-2-yl)methanamine?
The InChIKey is KMUHAJOXPNPERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-3-4-7(5-8)9(6)2/h3-4H,5,8H2,1-2H3.
What are the key properties of (1,5-dimethylpyrrol-2-yl)methanamine?
(1,5-dimethylpyrrol-2-yl)methanamine has a molecular weight of 124.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrrol-2-yl)methanamine is sourced from PubChem (CID 737232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).