2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine

C13H30N4O — CID 110941028

IUPAC2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CCCN(CC)CC)NCCOC
InChIInChI=1S/C13H30N4O/c1-5-14-13(16-10-12-18-4)15-9-8-11-17(6-2)7-3/h5-12H2,1-4H3,(H2,14,15,16)
InChIKeyITJHTDWEMGQGQX-UHFFFAOYSA-N
MW258.41 g/mol
LogP0.92
Rot. Bonds10

About 2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine

2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine (PubChem CID 110941028) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
PubChem CID110941028
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CCCN(CC)CC)NCCOC
InChIInChI=1S/C13H30N4O/c1-5-14-13(16-10-12-18-4)15-9-8-11-17(6-2)7-3/h5-12H2,1-4H3,(H2,14,15,16)
InChIKeyITJHTDWEMGQGQX-UHFFFAOYSA-N
XLogP0.92
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(diethylamino)propyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111897154
1-[3-(diethylamino)propyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405703
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
2-[3-(diethylamino)propyl]-1-ethyl-3-(2-phenoxyethyl)guanidine
CID 111005639
1-ethyl-3-(2-methoxyethyl)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 110942648
1-ethyl-2-[3-[ethylsulfonyl(methyl)amino]propyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941605
2-[3-(diethylamino)propyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005638
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111840212
2-[4-(diethylamino)butyl]-1-ethyl-3-[2-(3-methylbutoxy)ethyl]guanidine;hydroiodide
CID 111971717
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941681
1-butyl-3-ethyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111151522

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
The IUPAC name of 2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine (CID 110941028) is 2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine is CCN/C(=N\CCCN(CC)CC)NCCOC.
What is the InChIKey of 2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
The InChIKey is ITJHTDWEMGQGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-5-14-13(16-10-12-18-4)15-9-8-11-17(6-2)7-3/h5-12H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine has a molecular weight of 258.41 g/mol, XLogP of 0.92, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 110941028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).