(2,5-dimethyl-3H-pyrrol-4-yl)methanamine

C7H12N2 — CID 143337587

IUPAC(2,5-dimethyl-3H-pyrrol-4-yl)methanamine
SMILESCC1=NC(C)=C(CN)C1
InChIInChI=1S/C7H12N2/c1-5-3-7(4-8)6(2)9-5/h3-4,8H2,1-2H3
InChIKeyYOKNOULWLIKBPC-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.08
Rot. Bonds1

About (2,5-dimethyl-3H-pyrrol-4-yl)methanamine

(2,5-dimethyl-3H-pyrrol-4-yl)methanamine (PubChem CID 143337587) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (2,5-dimethyl-3H-pyrrol-4-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethyl-3H-pyrrol-4-yl)methanamine
PubChem CID143337587
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(2,5-dimethyl-3H-pyrrol-4-yl)methanamine
SMILESCC1=NC(C)=C(CN)C1
InChIInChI=1S/C7H12N2/c1-5-3-7(4-8)6(2)9-5/h3-4,8H2,1-2H3
InChIKeyYOKNOULWLIKBPC-UHFFFAOYSA-N
XLogP1.08
TPSA38.38 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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-3H-pyrrol-4-yl)methanamine?
The IUPAC name of (2,5-dimethyl-3H-pyrrol-4-yl)methanamine (CID 143337587) is (2,5-dimethyl-3H-pyrrol-4-yl)methanamine.
What is the SMILES notation for (2,5-dimethyl-3H-pyrrol-4-yl)methanamine?
The canonical SMILES for (2,5-dimethyl-3H-pyrrol-4-yl)methanamine is CC1=NC(C)=C(CN)C1.
What is the InChIKey of (2,5-dimethyl-3H-pyrrol-4-yl)methanamine?
The InChIKey is YOKNOULWLIKBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-3-7(4-8)6(2)9-5/h3-4,8H2,1-2H3.
What are the key properties of (2,5-dimethyl-3H-pyrrol-4-yl)methanamine?
(2,5-dimethyl-3H-pyrrol-4-yl)methanamine has a molecular weight of 124.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-3H-pyrrol-4-yl)methanamine is sourced from PubChem (CID 143337587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).