2-(2,4-dimethylpyrrol-1-yl)propan-1-amine

C9H16N2 — CID 91621186

IUPAC2-(2,4-dimethylpyrrol-1-yl)propan-1-amine
SMILESCc1cc(C)n(C(C)CN)c1
InChIInChI=1S/C9H16N2/c1-7-4-8(2)11(6-7)9(3)5-10/h4,6,9H,5,10H2,1-3H3
InChIKeyJBNHXKPXSSFUPV-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.62
Rot. Bonds2

About 2-(2,4-dimethylpyrrol-1-yl)propan-1-amine

2-(2,4-dimethylpyrrol-1-yl)propan-1-amine (PubChem CID 91621186) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(2,4-dimethylpyrrol-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(2,4-dimethylpyrrol-1-yl)propan-1-amine
PubChem CID91621186
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(2,4-dimethylpyrrol-1-yl)propan-1-amine
SMILESCc1cc(C)n(C(C)CN)c1
InChIInChI=1S/C9H16N2/c1-7-4-8(2)11(6-7)9(3)5-10/h4,6,9H,5,10H2,1-3H3
InChIKeyJBNHXKPXSSFUPV-UHFFFAOYSA-N
XLogP1.62
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpyrrol-1-yl)propan-1-amine?
The IUPAC name of 2-(2,4-dimethylpyrrol-1-yl)propan-1-amine (CID 91621186) is 2-(2,4-dimethylpyrrol-1-yl)propan-1-amine.
What is the SMILES notation for 2-(2,4-dimethylpyrrol-1-yl)propan-1-amine?
The canonical SMILES for 2-(2,4-dimethylpyrrol-1-yl)propan-1-amine is Cc1cc(C)n(C(C)CN)c1.
What is the InChIKey of 2-(2,4-dimethylpyrrol-1-yl)propan-1-amine?
The InChIKey is JBNHXKPXSSFUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-4-8(2)11(6-7)9(3)5-10/h4,6,9H,5,10H2,1-3H3.
What are the key properties of 2-(2,4-dimethylpyrrol-1-yl)propan-1-amine?
2-(2,4-dimethylpyrrol-1-yl)propan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpyrrol-1-yl)propan-1-amine is sourced from PubChem (CID 91621186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).