1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine

C11H25N3O — CID 111224259

IUPAC1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCCOCC
InChIInChI=1S/C11H25N3O/c1-4-8-13-11(12-5-2)14-9-7-10-15-6-3/h4-10H2,1-3H3,(H2,12,13,14)
InChIKeyRZBVLTSCSNMWME-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.38
Rot. Bonds8

About 1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine

1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine (PubChem CID 111224259) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine
PubChem CID111224259
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine
SMILESCCC/N=C(\NCC)NCCCOCC
InChIInChI=1S/C11H25N3O/c1-4-8-13-11(12-5-2)14-9-7-10-15-6-3/h4-10H2,1-3H3,(H2,12,13,14)
InChIKeyRZBVLTSCSNMWME-UHFFFAOYSA-N
XLogP1.38
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-butoxypropyl)-3-ethyl-2-propylguanidine;hydroiodide
CID 111226433
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161864
2-(4-ethoxybutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896119
1-ethyl-2-propyl-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111226656
2-(cyclopropylmethyl)-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111222685
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
2-(4-ethoxybutyl)-1-ethyl-3-(2-methylsulfanylethyl)guanidine
CID 111344091
2-(3-ethoxypropyl)-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778471
2-(4-ethoxybutyl)-1-ethyl-3-(3-methylbutyl)guanidine
CID 110977551
2-(4-ethoxybutyl)-1-ethyl-3-(4-methylsulfanylbutyl)guanidine;hydroiodide
CID 111628545
3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide
CID 111224067

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine?
The IUPAC name of 1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine (CID 111224259) is 1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine is CCC/N=C(\NCC)NCCCOCC.
What is the InChIKey of 1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine?
The InChIKey is RZBVLTSCSNMWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-8-13-11(12-5-2)14-9-7-10-15-6-3/h4-10H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine?
1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine has a molecular weight of 215.34 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine is sourced from PubChem (CID 111224259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).