2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride

C7H15Cl2N3 — CID 75531085

IUPAC2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
SMILESCc1ncn(CCN)c1C.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-6-7(2)10(4-3-8)5-9-6;;/h5H,3-4,8H2,1-2H3;2*1H
InChIKeyFFFLQSZQZXGUAY-UHFFFAOYSA-N
MW212.12 g/mol
LogP1.30
Rot. Bonds2

About 2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride

2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride (PubChem CID 75531085) has the molecular formula C7H15Cl2N3 and a molecular weight of 212.12 g/mol. Its IUPAC name is 2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
PubChem CID75531085
Molecular FormulaC7H15Cl2N3
Molecular Weight212.12 g/mol
Exact Mass211.06
IUPAC Name2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride
SMILESCc1ncn(CCN)c1C.Cl.Cl
InChIInChI=1S/C7H13N3.2ClH/c1-6-7(2)10(4-3-8)5-9-6;;/h5H,3-4,8H2,1-2H3;2*1H
InChIKeyFFFLQSZQZXGUAY-UHFFFAOYSA-N
XLogP1.30
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride (CID 75531085) is 2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride is Cc1ncn(CCN)c1C.Cl.Cl.
What is the InChIKey of 2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride?
The InChIKey is FFFLQSZQZXGUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.2ClH/c1-6-7(2)10(4-3-8)5-9-6;;/h5H,3-4,8H2,1-2H3;2*1H.
What are the key properties of 2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride?
2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride has a molecular weight of 212.12 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylimidazol-1-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 75531085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).