N-ethylethanamine;1-ethylimidazole;dihydrochloride

C9H21Cl2N3 — CID 173327327

IUPACN-ethylethanamine;1-ethylimidazole;dihydrochloride
SMILESCCNCC.CCn1ccnc1.Cl.Cl
InChIInChI=1S/C5H8N2.C4H11N.2ClH/c1-2-7-4-3-6-5-7;1-3-5-4-2;;/h3-5H,2H2,1H3;5H,3-4H2,1-2H3;2*1H
InChIKeyKPOGJXJXXAYMFL-UHFFFAOYSA-N
MW242.19 g/mol
LogP2.36
Rot. Bonds3

About N-ethylethanamine;1-ethylimidazole;dihydrochloride

N-ethylethanamine;1-ethylimidazole;dihydrochloride (PubChem CID 173327327) has the molecular formula C9H21Cl2N3 and a molecular weight of 242.19 g/mol. Its IUPAC name is N-ethylethanamine;1-ethylimidazole;dihydrochloride.

Molecular Properties

Compound NameN-ethylethanamine;1-ethylimidazole;dihydrochloride
PubChem CID173327327
Molecular FormulaC9H21Cl2N3
Molecular Weight242.19 g/mol
Exact Mass241.11
IUPAC NameN-ethylethanamine;1-ethylimidazole;dihydrochloride
SMILESCCNCC.CCn1ccnc1.Cl.Cl
InChIInChI=1S/C5H8N2.C4H11N.2ClH/c1-2-7-4-3-6-5-7;1-3-5-4-2;;/h3-5H,2H2,1H3;5H,3-4H2,1-2H3;2*1H
InChIKeyKPOGJXJXXAYMFL-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethylethanamine;1-ethylimidazole;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;1-ethylimidazole
CID 118057388
1-ethylimidazole;hydroiodide
CID 66751695
1-ethylimidazole;octane
CID 145297576
cobalt(2+);tetrakis(1-ethylimidazole);diisothiocyanate
CID 139070623
1-butylimidazole;1-ethylimidazole;1-propylimidazole
CID 143151765
1-ethylimidazole;5-methyl-1H-imidazole
CID 159971219
N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
CID 113314786
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
fluoroboronic acid;octakis(1-propylimidazole)
CID 173216123
2-imidazol-1-ylacetonitrile;propanenitrile;hydrochloride
CID 145097048
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)propanamide
CID 62833387

Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;1-ethylimidazole;dihydrochloride?
The IUPAC name of N-ethylethanamine;1-ethylimidazole;dihydrochloride (CID 173327327) is N-ethylethanamine;1-ethylimidazole;dihydrochloride.
What is the SMILES notation for N-ethylethanamine;1-ethylimidazole;dihydrochloride?
The canonical SMILES for N-ethylethanamine;1-ethylimidazole;dihydrochloride is CCNCC.CCn1ccnc1.Cl.Cl.
What is the InChIKey of N-ethylethanamine;1-ethylimidazole;dihydrochloride?
The InChIKey is KPOGJXJXXAYMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C4H11N.2ClH/c1-2-7-4-3-6-5-7;1-3-5-4-2;;/h3-5H,2H2,1H3;5H,3-4H2,1-2H3;2*1H.
What are the key properties of N-ethylethanamine;1-ethylimidazole;dihydrochloride?
N-ethylethanamine;1-ethylimidazole;dihydrochloride has a molecular weight of 242.19 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;1-ethylimidazole;dihydrochloride is sourced from PubChem (CID 173327327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).