1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine

C9H21N3O2 — CID 62362898

IUPAC1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCOCCOC
InChIInChI=1S/C9H21N3O2/c1-3-4-11-9(10)12-5-6-14-8-7-13-2/h3-8H2,1-2H3,(H3,10,11,12)
InChIKeySNBHKUJYEUEJJH-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.04
Rot. Bonds8

About 1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine

1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine (PubChem CID 62362898) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine
PubChem CID62362898
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine
SMILESCCC/N=C(\N)NCCOCCOC
InChIInChI=1S/C9H21N3O2/c1-3-4-11-9(10)12-5-6-14-8-7-13-2/h3-8H2,1-2H3,(H3,10,11,12)
InChIKeySNBHKUJYEUEJJH-UHFFFAOYSA-N
XLogP-0.04
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.04
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine (CID 62362898) is 1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine is CCC/N=C(\N)NCCOCCOC.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine?
The InChIKey is SNBHKUJYEUEJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-4-11-9(10)12-5-6-14-8-7-13-2/h3-8H2,1-2H3,(H3,10,11,12).
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine?
1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine has a molecular weight of 203.29 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]-2-propylguanidine is sourced from PubChem (CID 62362898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).