2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine

C9H16N2 — CID 62656838

IUPAC2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine
SMILESCNCCn1c(C)ccc1C
InChIInChI=1S/C9H16N2/c1-8-4-5-9(2)11(8)7-6-10-3/h4-5,10H,6-7H2,1-3H3
InChIKeyDDNJXJVBXJATQS-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.32
Rot. Bonds3

About 2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine

2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine (PubChem CID 62656838) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine
PubChem CID62656838
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine
SMILESCNCCn1c(C)ccc1C
InChIInChI=1S/C9H16N2/c1-8-4-5-9(2)11(8)7-6-10-3/h4-5,10H,6-7H2,1-3H3
InChIKeyDDNJXJVBXJATQS-UHFFFAOYSA-N
XLogP1.32
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine (CID 62656838) is 2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine is CNCCn1c(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine?
The InChIKey is DDNJXJVBXJATQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-4-5-9(2)11(8)7-6-10-3/h4-5,10H,6-7H2,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine?
2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-N-methylethanamine is sourced from PubChem (CID 62656838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).