1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine

C11H25N3O2 — CID 62362347

IUPAC1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CCCOC)CCOC
InChIInChI=1S/C11H25N3O2/c1-4-6-13-11(12)14(8-10-16-3)7-5-9-15-2/h4-10H2,1-3H3,(H2,12,13)
InChIKeyCJTRPOXIYOJLPB-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.70
Rot. Bonds9

About 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine

1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine (PubChem CID 62362347) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine
PubChem CID62362347
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CCCOC)CCOC
InChIInChI=1S/C11H25N3O2/c1-4-6-13-11(12)14(8-10-16-3)7-5-9-15-2/h4-10H2,1-3H3,(H2,12,13)
InChIKeyCJTRPOXIYOJLPB-UHFFFAOYSA-N
XLogP0.70
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.70
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine?
The IUPAC name of 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine (CID 62362347) is 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine?
The canonical SMILES for 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine is CCC/N=C(\N)N(CCCOC)CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine?
The InChIKey is CJTRPOXIYOJLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-4-6-13-11(12)14(8-10-16-3)7-5-9-15-2/h4-10H2,1-3H3,(H2,12,13).
What are the key properties of 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine?
1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine has a molecular weight of 231.34 g/mol, XLogP of 0.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-(3-methoxypropyl)-2-propylguanidine is sourced from PubChem (CID 62362347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).