2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride

C5H12ClN3 — CID 54602665

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride
SMILESCl.NCCC1=NCCN1
InChIInChI=1S/C5H11N3.ClH/c6-2-1-5-7-3-4-8-5;/h1-4,6H2,(H,7,8);1H
InChIKeyVHBBSNWBXJIIIT-UHFFFAOYSA-N
MW149.62 g/mol
LogP-0.24
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride

2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride (PubChem CID 54602665) has the molecular formula C5H12ClN3 and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride
PubChem CID54602665
Molecular FormulaC5H12ClN3
Molecular Weight149.62 g/mol
Exact Mass149.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride
SMILESCl.NCCC1=NCCN1
InChIInChI=1S/C5H11N3.ClH/c6-2-1-5-7-3-4-8-5;/h1-4,6H2,(H,7,8);1H
InChIKeyVHBBSNWBXJIIIT-UHFFFAOYSA-N
XLogP-0.24
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride (CID 54602665) is 2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride is Cl.NCCC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride?
The InChIKey is VHBBSNWBXJIIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.ClH/c6-2-1-5-7-3-4-8-5;/h1-4,6H2,(H,7,8);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride?
2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 54602665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).