2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride

C10H21ClN6 — CID 54600956

IUPAC2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride
SMILESCl.NCCN1CCN=C1C1=NCCN1CCN
InChIInChI=1S/C10H20N6.ClH/c11-1-5-15-7-3-13-9(15)10-14-4-8-16(10)6-2-12;/h1-8,11-12H2;1H
InChIKeyPHWZGCCLJXFRJB-UHFFFAOYSA-N
MW260.77 g/mol
LogP-1.25
Rot. Bonds5

About 2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride

2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride (PubChem CID 54600956) has the molecular formula C10H21ClN6 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride
PubChem CID54600956
Molecular FormulaC10H21ClN6
Molecular Weight260.77 g/mol
Exact Mass260.15
IUPAC Name2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride
SMILESCl.NCCN1CCN=C1C1=NCCN1CCN
InChIInChI=1S/C10H20N6.ClH/c11-1-5-15-7-3-13-9(15)10-14-4-8-16(10)6-2-12;/h1-8,11-12H2;1H
InChIKeyPHWZGCCLJXFRJB-UHFFFAOYSA-N
XLogP-1.25
TPSA83.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride (CID 54600956) is 2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride is Cl.NCCN1CCN=C1C1=NCCN1CCN.
What is the InChIKey of 2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride?
The InChIKey is PHWZGCCLJXFRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6.ClH/c11-1-5-15-7-3-13-9(15)10-14-4-8-16(10)6-2-12;/h1-8,11-12H2;1H.
What are the key properties of 2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride?
2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of -1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-aminoethyl)-4,5-dihydroimidazol-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine;hydrochloride is sourced from PubChem (CID 54600956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).