1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine

C11H22N6O — CID 116514877

IUPAC1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCn1ccnc1
InChIInChI=1S/C11H22N6O/c1-2-18-9-3-4-14-11(16-12)15-6-8-17-7-5-13-10-17/h5,7,10H,2-4,6,8-9,12H2,1H3,(H2,14,15,16)
InChIKeyIHPSYHNYCHXMEV-UHFFFAOYSA-N
MW254.34 g/mol
LogP-0.28
Rot. Bonds8

About 1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine

1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine (PubChem CID 116514877) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine
PubChem CID116514877
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine
SMILESCCOCCC/N=C(\NN)NCCn1ccnc1
InChIInChI=1S/C11H22N6O/c1-2-18-9-3-4-14-11(16-12)15-6-8-17-7-5-13-10-17/h5,7,10H,2-4,6,8-9,12H2,1H3,(H2,14,15,16)
InChIKeyIHPSYHNYCHXMEV-UHFFFAOYSA-N
XLogP-0.28
TPSA89.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(3-ethoxypropyl)-3-(2-pyrazol-1-ylethyl)guanidine
CID 116514706
1-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine;hydroiodide
CID 111222590
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401338
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110975814
1-amino-2-(3-ethoxypropyl)-3-[2-(1-methylpyrazol-3-yl)ethyl]guanidine
CID 106106954
1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111160602
1-amino-3-[3-(diethylamino)propyl]-2-(3-ethoxypropyl)guanidine
CID 104883061
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 111393055
1-(13-ethoxytridecyl)imidazole
CID 145255635
tert-butyl N-[3-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111886454
1-amino-3-[2-[di(propan-2-yl)amino]ethyl]-2-(3-ethoxypropyl)guanidine
CID 104882909
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine?
The IUPAC name of 1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine (CID 116514877) is 1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine.
What is the SMILES notation for 1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine?
The canonical SMILES for 1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine is CCOCCC/N=C(\NN)NCCn1ccnc1.
What is the InChIKey of 1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine?
The InChIKey is IHPSYHNYCHXMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-2-18-9-3-4-14-11(16-12)15-6-8-17-7-5-13-10-17/h5,7,10H,2-4,6,8-9,12H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine?
1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine has a molecular weight of 254.34 g/mol, XLogP of -0.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-ethoxypropyl)-3-(2-imidazol-1-ylethyl)guanidine is sourced from PubChem (CID 116514877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).