1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine

C12H25N3O2 — CID 110989253

IUPAC1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
SMILESCCN/C(=N\CCCOCCOC)NC1CC1
InChIInChI=1S/C12H25N3O2/c1-3-13-12(15-11-5-6-11)14-7-4-8-17-10-9-16-2/h11H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyZQWDJHRIKUWQAC-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.76
Rot. Bonds9

About 1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine

1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine (PubChem CID 110989253) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
PubChem CID110989253
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
SMILESCCN/C(=N\CCCOCCOC)NC1CC1
InChIInChI=1S/C12H25N3O2/c1-3-13-12(15-11-5-6-11)14-7-4-8-17-10-9-16-2/h11H,3-10H2,1-2H3,(H2,13,14,15)
InChIKeyZQWDJHRIKUWQAC-UHFFFAOYSA-N
XLogP0.76
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.76
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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Related Compounds

1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
1-cyclohexyl-3-ethyl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 110957347
2-(3-butoxypropyl)-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189864
1-ethyl-3-(4-hydroxycyclohexyl)-2-(5-methoxypentyl)guanidine
CID 111190692
1-ethyl-2-[4-(2-methoxyethoxy)butyl]-3-(2-methylcyclopropyl)guanidine
CID 111962055
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627
1-ethyl-2-[2-(2-methoxyethoxy)ethyl]-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111528613
tert-butyl 3-[[N-ethyl-N'-[4-(2-methoxyethoxy)butyl]carbamimidoyl]amino]azetidine-1-carboxylate
CID 109465432
1-ethyl-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018414
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-[4-(2-methoxyethoxy)butyl]guanidine
CID 111919315
tert-butyl 3-[[N-ethyl-N'-[4-(2-methoxyethoxy)butyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109465431
1-cyclopropyl-3-ethyl-2-[3-(2-phenylethoxy)propyl]guanidine
CID 110989421

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine (CID 110989253) is 1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine is CCN/C(=N\CCCOCCOC)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine?
The InChIKey is ZQWDJHRIKUWQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-13-12(15-11-5-6-11)14-7-4-8-17-10-9-16-2/h11H,3-10H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine?
1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine has a molecular weight of 243.35 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine is sourced from PubChem (CID 110989253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).