2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine

C7H16N3+ — CID 18724292

IUPAC2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
SMILESCC1=NCC[N+]1(C)CCN
InChIInChI=1S/C7H16N3/c1-7-9-4-6-10(7,2)5-3-8/h3-6,8H2,1-2H3/q+1
InChIKeyJWQJHQMHLIUWIJ-UHFFFAOYSA-N
MW142.23 g/mol
LogP-0.18
Rot. Bonds2

About 2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine

2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine (PubChem CID 18724292) has the molecular formula C7H16N3+ and a molecular weight of 142.23 g/mol. Its IUPAC name is 2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine.

Molecular Properties

Compound Name2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
PubChem CID18724292
Molecular FormulaC7H16N3+
Molecular Weight142.23 g/mol
Exact Mass142.13
IUPAC Name2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
SMILESCC1=NCC[N+]1(C)CCN
InChIInChI=1S/C7H16N3/c1-7-9-4-6-10(7,2)5-3-8/h3-6,8H2,1-2H3/q+1
InChIKeyJWQJHQMHLIUWIJ-UHFFFAOYSA-N
XLogP-0.18
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine?
The IUPAC name of 2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine (CID 18724292) is 2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine.
What is the SMILES notation for 2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine?
The canonical SMILES for 2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine is CC1=NCC[N+]1(C)CCN.
What is the InChIKey of 2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine?
The InChIKey is JWQJHQMHLIUWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N3/c1-7-9-4-6-10(7,2)5-3-8/h3-6,8H2,1-2H3/q+1.
What are the key properties of 2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine?
2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine has a molecular weight of 142.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine is sourced from PubChem (CID 18724292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).