[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride

C7H15Cl2N3O — CID 75530754

IUPAC[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
SMILESCOCCn1cncc1CN.Cl.Cl
InChIInChI=1S/C7H13N3O.2ClH/c1-11-3-2-10-6-9-5-7(10)4-8;;/h5-6H,2-4,8H2,1H3;2*1H
InChIKeyYEUMWOPWUPPLGJ-UHFFFAOYSA-N
MW228.12 g/mol
LogP0.83
Rot. Bonds4

About [3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride

[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride (PubChem CID 75530754) has the molecular formula C7H15Cl2N3O and a molecular weight of 228.12 g/mol. Its IUPAC name is [3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
PubChem CID75530754
Molecular FormulaC7H15Cl2N3O
Molecular Weight228.12 g/mol
Exact Mass227.06
IUPAC Name[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride
SMILESCOCCn1cncc1CN.Cl.Cl
InChIInChI=1S/C7H13N3O.2ClH/c1-11-3-2-10-6-9-5-7(10)4-8;;/h5-6H,2-4,8H2,1H3;2*1H
InChIKeyYEUMWOPWUPPLGJ-UHFFFAOYSA-N
XLogP0.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.12
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride?
The IUPAC name of [3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride (CID 75530754) is [3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for [3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride?
The canonical SMILES for [3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride is COCCn1cncc1CN.Cl.Cl.
What is the InChIKey of [3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride?
The InChIKey is YEUMWOPWUPPLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O.2ClH/c1-11-3-2-10-6-9-5-7(10)4-8;;/h5-6H,2-4,8H2,1H3;2*1H.
What are the key properties of [3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride?
[3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride has a molecular weight of 228.12 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethyl)imidazol-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 75530754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).