2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride

C7H15Cl2N3 — CID 122129869

IUPAC2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride
SMILESCCn1cnc(CCN)c1.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-2-10-5-7(3-4-8)9-6-10;;/h5-6H,2-4,8H2,1H3;2*1H
InChIKeyLYANMXABTREVHZ-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.25
Rot. Bonds3

About 2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride

2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride (PubChem CID 122129869) has the molecular formula C7H15Cl2N3 and a molecular weight of 212.12 g/mol. Its IUPAC name is 2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride
PubChem CID122129869
Molecular FormulaC7H15Cl2N3
Molecular Weight212.12 g/mol
Exact Mass211.06
IUPAC Name2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride
SMILESCCn1cnc(CCN)c1.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-2-10-5-7(3-4-8)9-6-10;;/h5-6H,2-4,8H2,1H3;2*1H
InChIKeyLYANMXABTREVHZ-UHFFFAOYSA-N
XLogP1.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride (CID 122129869) is 2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride is CCn1cnc(CCN)c1.Cl.Cl.
What is the InChIKey of 2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride?
The InChIKey is LYANMXABTREVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.2ClH/c1-2-10-5-7(3-4-8)9-6-10;;/h5-6H,2-4,8H2,1H3;2*1H.
What are the key properties of 2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride?
2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride has a molecular weight of 212.12 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-4-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 122129869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).