1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine

C10H21N3O — CID 62362796

IUPAC1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CCOC)C1CC1
InChIInChI=1S/C10H21N3O/c1-3-6-12-10(11)13(7-8-14-2)9-4-5-9/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyRIPXAVGFRJMREX-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.82
Rot. Bonds6

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

1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine (PubChem CID 62362796) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine
PubChem CID62362796
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine
SMILESCCC/N=C(\N)N(CCOC)C1CC1
InChIInChI=1S/C10H21N3O/c1-3-6-12-10(11)13(7-8-14-2)9-4-5-9/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyRIPXAVGFRJMREX-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
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-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine?
The IUPAC name of 1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine (CID 62362796) is 1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine.
What is the SMILES notation for 1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine?
The canonical SMILES for 1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine is CCC/N=C(\N)N(CCOC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine?
The InChIKey is RIPXAVGFRJMREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-6-12-10(11)13(7-8-14-2)9-4-5-9/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine?
1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-methoxyethyl)-2-propylguanidine is sourced from PubChem (CID 62362796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).