1-(2-methoxyethyl)-1-propylguanidine

C7H17N3O — CID 118886745

IUPAC1-(2-methoxyethyl)-1-propylguanidine
SMILES[H]/N=C(\N)N(CCC)CCOC
InChIInChI=1S/C7H17N3O/c1-3-4-10(7(8)9)5-6-11-2/h3-6H2,1-2H3,(H3,8,9)
InChIKeyHKTLAVWJWREFGI-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.24
Rot. Bonds5

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

1-(2-methoxyethyl)-1-propylguanidine (PubChem CID 118886745) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1-propylguanidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1-propylguanidine
PubChem CID118886745
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name1-(2-methoxyethyl)-1-propylguanidine
SMILES[H]/N=C(\N)N(CCC)CCOC
InChIInChI=1S/C7H17N3O/c1-3-4-10(7(8)9)5-6-11-2/h3-6H2,1-2H3,(H3,8,9)
InChIKeyHKTLAVWJWREFGI-UHFFFAOYSA-N
XLogP0.24
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-propylguanidine?
The IUPAC name of 1-(2-methoxyethyl)-1-propylguanidine (CID 118886745) is 1-(2-methoxyethyl)-1-propylguanidine.
What is the SMILES notation for 1-(2-methoxyethyl)-1-propylguanidine?
The canonical SMILES for 1-(2-methoxyethyl)-1-propylguanidine is [H]/N=C(\N)N(CCC)CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-1-propylguanidine?
The InChIKey is HKTLAVWJWREFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-3-4-10(7(8)9)5-6-11-2/h3-6H2,1-2H3,(H3,8,9).
What are the key properties of 1-(2-methoxyethyl)-1-propylguanidine?
1-(2-methoxyethyl)-1-propylguanidine has a molecular weight of 159.23 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1-propylguanidine is sourced from PubChem (CID 118886745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).