2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine

C10H19N5O — CID 110913907

IUPAC2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine
SMILESCOCCN/C(N)=N/CCCn1ccnc1
InChIInChI=1S/C10H19N5O/c1-16-8-5-14-10(11)13-3-2-6-15-7-4-12-9-15/h4,7,9H,2-3,5-6,8H2,1H3,(H3,11,13,14)
InChIKeyJXDQMYLDIGOTDX-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.18
Rot. Bonds7

About 2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine

2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine (PubChem CID 110913907) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine
PubChem CID110913907
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine
SMILESCOCCN/C(N)=N/CCCn1ccnc1
InChIInChI=1S/C10H19N5O/c1-16-8-5-14-10(11)13-3-2-6-15-7-4-12-9-15/h4,7,9H,2-3,5-6,8H2,1H3,(H3,11,13,14)
InChIKeyJXDQMYLDIGOTDX-UHFFFAOYSA-N
XLogP-0.18
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.18
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'}

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-imidazol-1-ylpropyl)guanidine;hydroiodide
CID 111023429
2-(2-imidazol-1-ylethyl)-1-(1-methoxypropan-2-yl)guanidine
CID 111030816
1-(3-imidazol-1-ylpropyl)-2-(2-methylpropyl)guanidine;hydroiodide
CID 110912123
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110975814
1-(3-imidazol-1-ylpropyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110974967
2-(3-imidazol-1-ylpropyl)-1-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]guanidine;trihydrochloride
CID 3068226
1-ethyl-2-(3-imidazol-1-ylpropyl)-3-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111652093
1-(2-methoxyethyl)imidazole
CID 14366840
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-(3-imidazol-1-ylpropyl)guanidine;hydroiodide
CID 111215192
1-cyclopropyl-2-(2-imidazol-1-ylethyl)guanidine
CID 62362892
1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine
CID 116514877
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine?
The IUPAC name of 2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine (CID 110913907) is 2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine.
What is the SMILES notation for 2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine?
The canonical SMILES for 2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine is COCCN/C(N)=N/CCCn1ccnc1.
What is the InChIKey of 2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine?
The InChIKey is JXDQMYLDIGOTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-16-8-5-14-10(11)13-3-2-6-15-7-4-12-9-15/h4,7,9H,2-3,5-6,8H2,1H3,(H3,11,13,14).
What are the key properties of 2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine?
2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine has a molecular weight of 225.30 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylpropyl)-1-(2-methoxyethyl)guanidine is sourced from PubChem (CID 110913907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).