3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride

C10H23ClN3+ — CID 18454444

IUPAC3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride
SMILESCC[N+](=C=NCCCN(C)C)CC.Cl
InChIInChI=1S/C10H22N3.ClH/c1-5-13(6-2)10-11-8-7-9-12(3)4;/h5-9H2,1-4H3;1H/q+1;
InChIKeyMIPDEBJTQQAJME-UHFFFAOYSA-N
MW220.77 g/mol
LogP1.59
Rot. Bonds6

About 3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride

3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride (PubChem CID 18454444) has the molecular formula C10H23ClN3+ and a molecular weight of 220.77 g/mol. Its IUPAC name is 3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride.

Molecular Properties

Compound Name3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride
PubChem CID18454444
Molecular FormulaC10H23ClN3+
Molecular Weight220.77 g/mol
Exact Mass220.16
IUPAC Name3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride
SMILESCC[N+](=C=NCCCN(C)C)CC.Cl
InChIInChI=1S/C10H22N3.ClH/c1-5-13(6-2)10-11-8-7-9-12(3)4;/h5-9H2,1-4H3;1H/q+1;
InChIKeyMIPDEBJTQQAJME-UHFFFAOYSA-N
XLogP1.59
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.77
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride
CID 2723939
1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
CID 15908
1-(3-(Dimethylamino)propyl)-3-ethylcarbodiimide methiodide
CID 122242
Ammonium, (3-(((butylimino)methylene)amino)propyl)trimethyl-, iodide
CID 52140
3-(Ethyliminomethylideneamino)propyl-trimethylazanium
CID 122243
3-(butyliminomethylideneamino)-N,N-dimethylpropan-1-amine
CID 305905
1-(3-Diethylaminopropyl)-3-ethylcarbodiimide hydrochloride
CID 9964512
1-Ethyl-3-(3-diethylaminopropyl)carbodiimide
CID 9964513
N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide methyliodide
CID 10236463
N,N-dimethyl-3-(propan-2-yliminomethylideneamino)propan-1-amine
CID 15700476
N-ethyl-N-(dimethylaminopropyl)carbodiimide
CID 19969141
(3-Diethylaminopropyl)-carbodiimide
CID 21571300

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride?
The IUPAC name of 3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride (CID 18454444) is 3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride.
What is the SMILES notation for 3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride?
The canonical SMILES for 3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride is CC[N+](=C=NCCCN(C)C)CC.Cl.
What is the InChIKey of 3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride?
The InChIKey is MIPDEBJTQQAJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N3.ClH/c1-5-13(6-2)10-11-8-7-9-12(3)4;/h5-9H2,1-4H3;1H/q+1;.
What are the key properties of 3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride?
3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride has a molecular weight of 220.77 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propyliminomethylidene-diethylazanium;hydrochloride is sourced from PubChem (CID 18454444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).