1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine

C15H34N4O — CID 111161319

IUPAC1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
SMILESCCCCCCN/C(=N\C)NCCCN(C)CCOC
InChIInChI=1S/C15H34N4O/c1-5-6-7-8-10-17-15(16-2)18-11-9-12-19(3)13-14-20-4/h5-14H2,1-4H3,(H2,16,17,18)
InChIKeyVNFZGISWWWZDAD-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.70
Rot. Bonds12

About 1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine

1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine (PubChem CID 111161319) has the molecular formula C15H34N4O and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
PubChem CID111161319
Molecular FormulaC15H34N4O
Molecular Weight286.46 g/mol
Exact Mass286.27
IUPAC Name1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
SMILESCCCCCCN/C(=N\C)NCCCN(C)CCOC
InChIInChI=1S/C15H34N4O/c1-5-6-7-8-10-17-15(16-2)18-11-9-12-19(3)13-14-20-4/h5-14H2,1-4H3,(H2,16,17,18)
InChIKeyVNFZGISWWWZDAD-UHFFFAOYSA-N
XLogP1.70
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.70
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

1-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methyl-3-pentylguanidine
CID 111652298
1-(3-butoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111238765
1-[3-[2-methoxyethyl(methyl)amino]propyl]-2,3-dimethylguanidine;hydroiodide
CID 110927292
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-[2-[3-methoxypropyl(methyl)amino]ethyl]-2-methylguanidine
CID 111650910
1-hexyl-3-(5-methoxypentyl)-2-methylguanidine;hydroiodide
CID 111161626
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110974894
1-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111225380
1-[3-[di(propan-2-yl)amino]propyl]-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111691909
1-(3-ethoxypropyl)-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-methylguanidine
CID 111221933
1-(3-cyclohexyloxypropyl)-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine
CID 111396927
1-hexyl-2-[3-[2-methoxyethyl(methyl)amino]propyl]guanidine
CID 111066563
1-butyl-3-[2-[butyl(methyl)amino]ethyl]-2-methylguanidine
CID 111781324

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine?
The IUPAC name of 1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine (CID 111161319) is 1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine.
What is the SMILES notation for 1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine?
The canonical SMILES for 1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine is CCCCCCN/C(=N\C)NCCCN(C)CCOC.
What is the InChIKey of 1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine?
The InChIKey is VNFZGISWWWZDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4O/c1-5-6-7-8-10-17-15(16-2)18-11-9-12-19(3)13-14-20-4/h5-14H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine?
1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine has a molecular weight of 286.46 g/mol, XLogP of 1.70, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-3-[3-[2-methoxyethyl(methyl)amino]propyl]-2-methylguanidine is sourced from PubChem (CID 111161319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).