2-(4-ethyl-1H-imidazol-5-yl)ethanamine

C7H13N3 — CID 12615455

IUPAC2-(4-ethyl-1H-imidazol-5-yl)ethanamine
SMILESCCc1nc[nH]c1CCN
InChIInChI=1S/C7H13N3/c1-2-6-7(3-4-8)10-5-9-6/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeySDKGIYIMTDDHBT-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.47
Rot. Bonds3

About 2-(4-ethyl-1H-imidazol-5-yl)ethanamine

2-(4-ethyl-1H-imidazol-5-yl)ethanamine (PubChem CID 12615455) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-(4-ethyl-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-ethyl-1H-imidazol-5-yl)ethanamine
PubChem CID12615455
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-(4-ethyl-1H-imidazol-5-yl)ethanamine
SMILESCCc1nc[nH]c1CCN
InChIInChI=1S/C7H13N3/c1-2-6-7(3-4-8)10-5-9-6/h5H,2-4,8H2,1H3,(H,9,10)
InChIKeySDKGIYIMTDDHBT-UHFFFAOYSA-N
XLogP0.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(4-ethyl-1H-imidazol-5-yl)ethanamine (CID 12615455) is 2-(4-ethyl-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-ethyl-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-ethyl-1H-imidazol-5-yl)ethanamine is CCc1nc[nH]c1CCN.
What is the InChIKey of 2-(4-ethyl-1H-imidazol-5-yl)ethanamine?
The InChIKey is SDKGIYIMTDDHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-6-7(3-4-8)10-5-9-6/h5H,2-4,8H2,1H3,(H,9,10).
What are the key properties of 2-(4-ethyl-1H-imidazol-5-yl)ethanamine?
2-(4-ethyl-1H-imidazol-5-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 12615455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).