2-(2-methylimidazol-1-yl)ethanamine

C6H11N3 — CID 3157480

IUPAC2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1nccn1CCN
InChIInChI=1S/C6H11N3/c1-6-8-3-5-9(6)4-2-7/h3,5H,2,4,7H2,1H3
InChIKeyQKVROWZQJVDFSO-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.15
Rot. Bonds2

About 2-(2-methylimidazol-1-yl)ethanamine

2-(2-methylimidazol-1-yl)ethanamine (PubChem CID 3157480) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)ethanamine
PubChem CID3157480
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-(2-methylimidazol-1-yl)ethanamine
SMILESCc1nccn1CCN
InChIInChI=1S/C6H11N3/c1-6-8-3-5-9(6)4-2-7/h3,5H,2,4,7H2,1H3
InChIKeyQKVROWZQJVDFSO-UHFFFAOYSA-N
XLogP0.15
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)ethanamine?
The IUPAC name of 2-(2-methylimidazol-1-yl)ethanamine (CID 3157480) is 2-(2-methylimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(2-methylimidazol-1-yl)ethanamine is Cc1nccn1CCN.
What is the InChIKey of 2-(2-methylimidazol-1-yl)ethanamine?
The InChIKey is QKVROWZQJVDFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-6-8-3-5-9(6)4-2-7/h3,5H,2,4,7H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)ethanamine?
2-(2-methylimidazol-1-yl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)ethanamine is sourced from PubChem (CID 3157480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).