4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride

C4H10ClN3 — CID 54610573

IUPAC4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride
SMILESCl.NCC1=NCCN1
InChIInChI=1S/C4H9N3.ClH/c5-3-4-6-1-2-7-4;/h1-3,5H2,(H,6,7);1H
InChIKeySKYZWAMUWSHMJT-UHFFFAOYSA-N
MW135.60 g/mol
LogP-0.63
Rot. Bonds1

About 4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride

4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride (PubChem CID 54610573) has the molecular formula C4H10ClN3 and a molecular weight of 135.60 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride
PubChem CID54610573
Molecular FormulaC4H10ClN3
Molecular Weight135.60 g/mol
Exact Mass135.06
IUPAC Name4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride
SMILESCl.NCC1=NCCN1
InChIInChI=1S/C4H9N3.ClH/c5-3-4-6-1-2-7-4;/h1-3,5H2,(H,6,7);1H
InChIKeySKYZWAMUWSHMJT-UHFFFAOYSA-N
XLogP-0.63
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.60
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride (CID 54610573) is 4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride is Cl.NCC1=NCCN1.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride?
The InChIKey is SKYZWAMUWSHMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3.ClH/c5-3-4-6-1-2-7-4;/h1-3,5H2,(H,6,7);1H.
What are the key properties of 4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride?
4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride has a molecular weight of 135.60 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 54610573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).