2-[2-(diethylamino)ethyl]-1,1-diethylguanidine

C11H26N4 — CID 111022676

IUPAC2-[2-(diethylamino)ethyl]-1,1-diethylguanidine
SMILESCCN(CC)CC/N=C(\N)N(CC)CC
InChIInChI=1S/C11H26N4/c1-5-14(6-2)10-9-13-11(12)15(7-3)8-4/h5-10H2,1-4H3,(H2,12,13)
InChIKeyOVOPOMCFEUGPAW-UHFFFAOYSA-N
MW214.36 g/mol
LogP0.98
Rot. Bonds7

About 2-[2-(diethylamino)ethyl]-1,1-diethylguanidine

2-[2-(diethylamino)ethyl]-1,1-diethylguanidine (PubChem CID 111022676) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-1,1-diethylguanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-1,1-diethylguanidine
PubChem CID111022676
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name2-[2-(diethylamino)ethyl]-1,1-diethylguanidine
SMILESCCN(CC)CC/N=C(\N)N(CC)CC
InChIInChI=1S/C11H26N4/c1-5-14(6-2)10-9-13-11(12)15(7-3)8-4/h5-10H2,1-4H3,(H2,12,13)
InChIKeyOVOPOMCFEUGPAW-UHFFFAOYSA-N
XLogP0.98
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1,2-dipropylguanidine
CID 62359189
2-[2-[ethyl(propyl)amino]ethyl]guanidine
CID 103718965
1-butyl-1-ethyl-2-propylguanidine
CID 62360301
1-ethyl-1-(2-methoxyethyl)-2-propylguanidine
CID 62364781
1-tert-butyl-2-[2-(diethylamino)ethyl]guanidine;hydroiodide
CID 110911999
1,1-diethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine
CID 111062569
1,1-diethyl-2-(2-phenylethyl)guanidine
CID 100672996
1-(2-cyanoethyl)-1-ethyl-2-propylguanidine
CID 62364332
N-[2-[[amino(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111030513
2-[2-(benzenesulfinyl)ethyl]-1,1-diethylguanidine
CID 111809894
1,1-diethyl-2-[3-(N-ethylanilino)propyl]guanidine;hydroiodide
CID 111035152
2-(3-cyclohexylpropyl)-1,1-diethylguanidine
CID 111062808

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-1,1-diethylguanidine?
The IUPAC name of 2-[2-(diethylamino)ethyl]-1,1-diethylguanidine (CID 111022676) is 2-[2-(diethylamino)ethyl]-1,1-diethylguanidine.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-1,1-diethylguanidine?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-1,1-diethylguanidine is CCN(CC)CC/N=C(\N)N(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-1,1-diethylguanidine?
The InChIKey is OVOPOMCFEUGPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-5-14(6-2)10-9-13-11(12)15(7-3)8-4/h5-10H2,1-4H3,(H2,12,13).
What are the key properties of 2-[2-(diethylamino)ethyl]-1,1-diethylguanidine?
2-[2-(diethylamino)ethyl]-1,1-diethylguanidine has a molecular weight of 214.36 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-1,1-diethylguanidine is sourced from PubChem (CID 111022676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).