2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride

C6H14ClN3 — CID 54612263

IUPAC2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride
SMILESCC1=NCCN1CCN.Cl
InChIInChI=1S/C6H13N3.ClH/c1-6-8-3-5-9(6)4-2-7;/h2-5,7H2,1H3;1H
InChIKeyIDPHEKGLAGRIQO-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.10
Rot. Bonds2

About 2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride

2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride (PubChem CID 54612263) has the molecular formula C6H14ClN3 and a molecular weight of 163.65 g/mol. Its IUPAC name is 2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride
PubChem CID54612263
Molecular FormulaC6H14ClN3
Molecular Weight163.65 g/mol
Exact Mass163.09
IUPAC Name2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride
SMILESCC1=NCCN1CCN.Cl
InChIInChI=1S/C6H13N3.ClH/c1-6-8-3-5-9(6)4-2-7;/h2-5,7H2,1H3;1H
InChIKeyIDPHEKGLAGRIQO-UHFFFAOYSA-N
XLogP0.10
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride (CID 54612263) is 2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride is CC1=NCCN1CCN.Cl.
What is the InChIKey of 2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride?
The InChIKey is IDPHEKGLAGRIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3.ClH/c1-6-8-3-5-9(6)4-2-7;/h2-5,7H2,1H3;1H.
What are the key properties of 2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride?
2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride is sourced from PubChem (CID 54612263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).