2-[2-(diethylamino)ethyl]guanidine;hydroiodide

C7H19IN4 — CID 24838560

IUPAC2-[2-(diethylamino)ethyl]guanidine;hydroiodide
SMILESCCN(CC)CCN=C(N)N.I
InChIInChI=1S/C7H18N4.HI/c1-3-11(4-2)6-5-10-7(8)9;/h3-6H2,1-2H3,(H4,8,9,10);1H
InChIKeyAOEQBQOOYHAMMG-UHFFFAOYSA-N
MW286.16 g/mol
LogP0.22
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]guanidine;hydroiodide

2-[2-(diethylamino)ethyl]guanidine;hydroiodide (PubChem CID 24838560) has the molecular formula C7H19IN4 and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]guanidine;hydroiodide
PubChem CID24838560
Molecular FormulaC7H19IN4
Molecular Weight286.16 g/mol
Exact Mass286.07
IUPAC Name2-[2-(diethylamino)ethyl]guanidine;hydroiodide
SMILESCCN(CC)CCN=C(N)N.I
InChIInChI=1S/C7H18N4.HI/c1-3-11(4-2)6-5-10-7(8)9;/h3-6H2,1-2H3,(H4,8,9,10);1H
InChIKeyAOEQBQOOYHAMMG-UHFFFAOYSA-N
XLogP0.22
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(2-Diethylamino-ethyl)-guanidine
CID 18645
N-[2-(Dimethylamino)ethyl]guanidine
CID 26500
2-[2-(Dipropylamino)ethyl]guanidine
CID 18643
2-(Diaminomethylideneamino)ethyl-trimethylazanium
CID 56290
2-[2-[Ethyl(propan-2-yl)amino]ethyl]guanidine
CID 26510
2-(Diaminomethylideneamino)ethyl-diethyl-methylazanium
CID 56359
2-[2-[Methyl(propan-2-yl)amino]ethyl]guanidine
CID 26502
2-[2-(1,4,4-Trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine
CID 21340749
2-[2-(Dimethylamino)ethyl]-1,1-dimethylguanidine
CID 22977236
2-[2-[Di(propan-2-yl)amino]ethyl]guanidine
CID 24838563
N''-[2-(4-Methylpiperazin-1-yl)ethyl]guanidine
CID 45115657
2-[1-[Ethyl(methyl)amino]propan-2-yl]guanidine
CID 53812585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-(diethylamino)ethyl]guanidine;hydroiodide (CID 24838560) is 2-[2-(diethylamino)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-(diethylamino)ethyl]guanidine;hydroiodide is CCN(CC)CCN=C(N)N.I.
What is the InChIKey of 2-[2-(diethylamino)ethyl]guanidine;hydroiodide?
The InChIKey is AOEQBQOOYHAMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4.HI/c1-3-11(4-2)6-5-10-7(8)9;/h3-6H2,1-2H3,(H4,8,9,10);1H.
What are the key properties of 2-[2-(diethylamino)ethyl]guanidine;hydroiodide?
2-[2-(diethylamino)ethyl]guanidine;hydroiodide has a molecular weight of 286.16 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 24838560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).