1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine

C13H30N4O2 — CID 111221933

IUPAC1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
SMILESCCOCCCN/C(=N\C)NCCN(C)CCOC
InChIInChI=1S/C13H30N4O2/c1-5-19-11-6-7-15-13(14-2)16-8-9-17(3)10-12-18-4/h5-12H2,1-4H3,(H2,14,15,16)
InChIKeyRZWRJLOMCJQSPT-UHFFFAOYSA-N
MW274.41 g/mol
LogP0.16
Rot. Bonds11

About 1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine

1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine (PubChem CID 111221933) has the molecular formula C13H30N4O2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
PubChem CID111221933
Molecular FormulaC13H30N4O2
Molecular Weight274.41 g/mol
Exact Mass274.24
IUPAC Name1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
SMILESCCOCCCN/C(=N\C)NCCN(C)CCOC
InChIInChI=1S/C13H30N4O2/c1-5-19-11-6-7-15-13(14-2)16-8-9-17(3)10-12-18-4/h5-12H2,1-4H3,(H2,14,15,16)
InChIKeyRZWRJLOMCJQSPT-UHFFFAOYSA-N
XLogP0.16
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine 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

1-(3-butoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111238765
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110974894
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111650910
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111225380
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111943140
1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-pentylguanidine
CID 111652298
1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111161319
1-(4-ethoxybutyl)-3-(3-ethoxypropyl)-2-methylguanidine
CID 111222873
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111652348
1-(4-ethoxybutyl)-3-[4-(2-methoxyethoxy)butyl]-2-methylguanidine
CID 111946295
1-[2-[ethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine;hydroiodide
CID 111652347
1-(2-ethoxyethyl)-3-(3-ethoxypropyl)-2-methylguanidine;hydroiodide
CID 111222736

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine?
The IUPAC name of 1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine (CID 111221933) is 1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine is CCOCCCN/C(=N\C)NCCN(C)CCOC.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine?
The InChIKey is RZWRJLOMCJQSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O2/c1-5-19-11-6-7-15-13(14-2)16-8-9-17(3)10-12-18-4/h5-12H2,1-4H3,(H2,14,15,16).
What are the key properties of 1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine?
1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine has a molecular weight of 274.41 g/mol, XLogP of 0.16, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine is sourced from PubChem (CID 111221933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).