N,N-diethylethanamine;1H-imidazole;hydrochloride

C9H20ClN3 — CID 174060282

IUPACN,N-diethylethanamine;1H-imidazole;hydrochloride
SMILESCCN(CC)CC.Cl.c1c[nH]cn1
InChIInChI=1S/C6H15N.C3H4N2.ClH/c1-4-7(5-2)6-3;1-2-5-3-4-1;/h4-6H2,1-3H3;1-3H,(H,4,5);1H
InChIKeyMZRJHFNCELHZLX-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.18
Rot. Bonds3

About N,N-diethylethanamine;1H-imidazole;hydrochloride

N,N-diethylethanamine;1H-imidazole;hydrochloride (PubChem CID 174060282) has the molecular formula C9H20ClN3 and a molecular weight of 205.73 g/mol. Its IUPAC name is N,N-diethylethanamine;1H-imidazole;hydrochloride.

Molecular Properties

Compound NameN,N-diethylethanamine;1H-imidazole;hydrochloride
PubChem CID174060282
Molecular FormulaC9H20ClN3
Molecular Weight205.73 g/mol
Exact Mass205.13
IUPAC NameN,N-diethylethanamine;1H-imidazole;hydrochloride
SMILESCCN(CC)CC.Cl.c1c[nH]cn1
InChIInChI=1S/C6H15N.C3H4N2.ClH/c1-4-7(5-2)6-3;1-2-5-3-4-1;/h4-6H2,1-3H3;1-3H,(H,4,5);1H
InChIKeyMZRJHFNCELHZLX-UHFFFAOYSA-N
XLogP2.18
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;1H-imidazole;hydrochloride?
The IUPAC name of N,N-diethylethanamine;1H-imidazole;hydrochloride (CID 174060282) is N,N-diethylethanamine;1H-imidazole;hydrochloride.
What is the SMILES notation for N,N-diethylethanamine;1H-imidazole;hydrochloride?
The canonical SMILES for N,N-diethylethanamine;1H-imidazole;hydrochloride is CCN(CC)CC.Cl.c1c[nH]cn1.
What is the InChIKey of N,N-diethylethanamine;1H-imidazole;hydrochloride?
The InChIKey is MZRJHFNCELHZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H4N2.ClH/c1-4-7(5-2)6-3;1-2-5-3-4-1;/h4-6H2,1-3H3;1-3H,(H,4,5);1H.
What are the key properties of N,N-diethylethanamine;1H-imidazole;hydrochloride?
N,N-diethylethanamine;1H-imidazole;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;1H-imidazole;hydrochloride is sourced from PubChem (CID 174060282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).