N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride

C9H19Cl2N3 — CID 67710239

IUPACN,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride
SMILESCCN(CC)CC[NH+]1C=CN=C1.Cl.[Cl-]
InChIInChI=1S/C9H17N3.2ClH/c1-3-11(4-2)7-8-12-6-5-10-9-12;;/h5-6,9H,3-4,7-8H2,1-2H3;2*1H
InChIKeyAHCXVSWXZCOAKG-UHFFFAOYSA-N
MW240.18 g/mol
LogP-2.85
Rot. Bonds5

About N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride

N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride (PubChem CID 67710239) has the molecular formula C9H19Cl2N3 and a molecular weight of 240.18 g/mol. Its IUPAC name is N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride
PubChem CID67710239
Molecular FormulaC9H19Cl2N3
Molecular Weight240.18 g/mol
Exact Mass239.10
IUPAC NameN,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride
SMILESCCN(CC)CC[NH+]1C=CN=C1.Cl.[Cl-]
InChIInChI=1S/C9H17N3.2ClH/c1-3-11(4-2)7-8-12-6-5-10-9-12;;/h5-6,9H,3-4,7-8H2,1-2H3;2*1H
InChIKeyAHCXVSWXZCOAKG-UHFFFAOYSA-N
XLogP-2.85
TPSA20.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-2.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Ethylimidazolium chloride
CID 19979778
3-ethenyl-4,5-dihydro-1H-imidazol-3-ium
CID 18541991
1-ethyl-1H-imidazol-1-ium;chloride;hydrochloride
CID 18945014
1-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 20095166
N,N-diethyl-2-(3-methyl-1H-imidazole-1,3-diium-1-yl)ethanamine
CID 22890001
3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium chloride
CID 67516540
3-ethenyl-4,5-dihydro-1H-imidazol-3-ium chloride
CID 69115033
1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 69345112
1-ethenyl-4,5-dihydro-1H-imidazol-1-ium chloride
CID 87761326
4,5-dihydro-1H-imidazol-1-ium;1-ethenyl-1-methyl-4,5-dihydroimidazol-1-ium;dichloride
CID 141058423
ethane;N'-ethenyl-N-methyl-N-(2-piperazin-1-ylethyl)methanimidamide
CID 143734602
tris(1-ethenyl-4,5-dihydro-1H-imidazol-1-ium);trichloride
CID 145811296

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride?
The IUPAC name of N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride (CID 67710239) is N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride.
What is the SMILES notation for N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride?
The canonical SMILES for N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride is CCN(CC)CC[NH+]1C=CN=C1.Cl.[Cl-].
What is the InChIKey of N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride?
The InChIKey is AHCXVSWXZCOAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.2ClH/c1-3-11(4-2)7-8-12-6-5-10-9-12;;/h5-6,9H,3-4,7-8H2,1-2H3;2*1H.
What are the key properties of N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride?
N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride has a molecular weight of 240.18 g/mol, XLogP of -2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1H-imidazol-1-ium-1-yl)ethanamine;chloride;hydrochloride is sourced from PubChem (CID 67710239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).