2-(2,3-dimethylimidazol-4-yl)ethanamine

C7H13N3 — CID 18722258

IUPAC2-(2,3-dimethylimidazol-4-yl)ethanamine
SMILESCc1ncc(CCN)n1C
InChIInChI=1S/C7H13N3/c1-6-9-5-7(3-4-8)10(6)2/h5H,3-4,8H2,1-2H3
InChIKeyVIJSSZFIWHCMFF-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.23
Rot. Bonds2

About 2-(2,3-dimethylimidazol-4-yl)ethanamine

2-(2,3-dimethylimidazol-4-yl)ethanamine (PubChem CID 18722258) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(2,3-dimethylimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dimethylimidazol-4-yl)ethanamine
PubChem CID18722258
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-(2,3-dimethylimidazol-4-yl)ethanamine
SMILESCc1ncc(CCN)n1C
InChIInChI=1S/C7H13N3/c1-6-9-5-7(3-4-8)10(6)2/h5H,3-4,8H2,1-2H3
InChIKeyVIJSSZFIWHCMFF-UHFFFAOYSA-N
XLogP0.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylimidazol-4-yl)ethanamine?
The IUPAC name of 2-(2,3-dimethylimidazol-4-yl)ethanamine (CID 18722258) is 2-(2,3-dimethylimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dimethylimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,3-dimethylimidazol-4-yl)ethanamine is Cc1ncc(CCN)n1C.
What is the InChIKey of 2-(2,3-dimethylimidazol-4-yl)ethanamine?
The InChIKey is VIJSSZFIWHCMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6-9-5-7(3-4-8)10(6)2/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-(2,3-dimethylimidazol-4-yl)ethanamine?
2-(2,3-dimethylimidazol-4-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylimidazol-4-yl)ethanamine is sourced from PubChem (CID 18722258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).