2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine

C17H30N4O — CID 111779079

IUPAC2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CC(C)N(C)Cc1ccccc1)NCCOC
InChIInChI=1S/C17H30N4O/c1-5-18-17(19-11-12-22-4)20-13-15(2)21(3)14-16-9-7-6-8-10-16/h6-10,15H,5,11-14H2,1-4H3,(H2,18,19,20)
InChIKeyAXIALIQMVRMFBC-UHFFFAOYSA-N
MW306.45 g/mol
LogP1.71
Rot. Bonds9

About 2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine

2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine (PubChem CID 111779079) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
PubChem CID111779079
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
SMILESCCN/C(=N\CC(C)N(C)Cc1ccccc1)NCCOC
InChIInChI=1S/C17H30N4O/c1-5-18-17(19-11-12-22-4)20-13-15(2)21(3)14-16-9-7-6-8-10-16/h6-10,15H,5,11-14H2,1-4H3,(H2,18,19,20)
InChIKeyAXIALIQMVRMFBC-UHFFFAOYSA-N
XLogP1.71
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.71
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-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-prop-2-enylguanidine
CID 111779424
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 111785729
2-[3-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110942282
1-[3-[benzyl(methyl)amino]butyl]-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111719421
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(3,4,5-trimethoxyphenyl)guanidine;hydroiodide
CID 111781183
1-ethyl-3-(2-methoxyethyl)-2-(3-methyl-2-phenylbutyl)guanidine;hydroiodide
CID 110942185
2-[3-[benzyl(methyl)amino]butyl]-1-ethyl-3-(2-hydroxyethyl)guanidine;hydroiodide
CID 111989008
N-benzyl-N-ethyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110939561
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979312
1-[3-[benzyl(methyl)amino]butyl]-2-(4-ethoxybutyl)-3-ethylguanidine;hydroiodide
CID 111719691
1-ethyl-3-(2-methoxyethyl)-2-(2-phenoxybutyl)guanidine;hydroiodide
CID 111560738
N-[2-[[N'-[3-[benzyl(methyl)amino]butyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111719165

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
The IUPAC name of 2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine (CID 111779079) is 2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine is CCN/C(=N\CC(C)N(C)Cc1ccccc1)NCCOC.
What is the InChIKey of 2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
The InChIKey is AXIALIQMVRMFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-5-18-17(19-11-12-22-4)20-13-15(2)21(3)14-16-9-7-6-8-10-16/h6-10,15H,5,11-14H2,1-4H3,(H2,18,19,20).
What are the key properties of 2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine?
2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine has a molecular weight of 306.45 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl(methyl)amino]propyl]-1-ethyl-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 111779079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).