2-[2-(diethylamino)ethyl]guanidine

C7H18N4 — CID 18645

IUPAC2-[2-(diethylamino)ethyl]guanidine
SMILESCCN(CC)CCN=C(N)N
InChIInChI=1S/C7H18N4/c1-3-11(4-2)6-5-10-7(8)9/h3-6H2,1-2H3,(H4,8,9,10)
InChIKeyQFRWGXWELVGRFZ-UHFFFAOYSA-N
MW158.25 g/mol
LogP-0.40
Rot. Bonds5

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

2-[2-(diethylamino)ethyl]guanidine (PubChem CID 18645) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]guanidine
PubChem CID18645
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name2-[2-(diethylamino)ethyl]guanidine
SMILESCCN(CC)CCN=C(N)N
InChIInChI=1S/C7H18N4/c1-3-11(4-2)6-5-10-7(8)9/h3-6H2,1-2H3,(H4,8,9,10)
InChIKeyQFRWGXWELVGRFZ-UHFFFAOYSA-N
XLogP-0.40
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.40
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'}

Analyze 2-[2-(diethylamino)ethyl]guanidine 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

N-[2-(Dimethylamino)ethyl]guanidine
CID 26500
2-[2-(Dipropylamino)ethyl]guanidine
CID 18643
2-(Diaminomethylideneamino)ethyl-trimethylazanium
CID 56290
2-[2-[Methyl(2-methylpropyl)amino]ethyl]guanidine
CID 26504
2-[2-[Ethyl(propan-2-yl)amino]ethyl]guanidine
CID 26510
2-[2-[Propan-2-yl(propyl)amino]ethyl]guanidine
CID 26512
2-(Diaminomethylideneamino)ethyl-diethyl-methylazanium
CID 56359
1-(2-(Diethylamino)ethyl)guanidine hydriodide
CID 24838560
2-[2-[Methyl(propan-2-yl)amino]ethyl]guanidine
CID 26502
[4-(Diaminomethylidene)piperazine-1,4-diium-1-ylidene]methanediamine
CID 3257800
Diaminomethylidene(diethyl)azanium
CID 5243947
2-[2-(1,4,4-Trimethylpiperazine-1,4-diium-1-yl)ethyl]guanidine
CID 21340749

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]guanidine?
The IUPAC name of 2-[2-(diethylamino)ethyl]guanidine (CID 18645) is 2-[2-(diethylamino)ethyl]guanidine.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]guanidine?
The canonical SMILES for 2-[2-(diethylamino)ethyl]guanidine is CCN(CC)CCN=C(N)N.
What is the InChIKey of 2-[2-(diethylamino)ethyl]guanidine?
The InChIKey is QFRWGXWELVGRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c1-3-11(4-2)6-5-10-7(8)9/h3-6H2,1-2H3,(H4,8,9,10).
What are the key properties of 2-[2-(diethylamino)ethyl]guanidine?
2-[2-(diethylamino)ethyl]guanidine has a molecular weight of 158.25 g/mol, XLogP of -0.40, 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 is sourced from PubChem (CID 18645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).