2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine

C10H21N3O — CID 63691468

IUPAC2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine
SMILESCCOCCN(CC)/C(N)=N/C1CC1
InChIInChI=1S/C10H21N3O/c1-3-13(7-8-14-4-2)10(11)12-9-5-6-9/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyHLGCOGWMRLWRGW-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.82
Rot. Bonds6

About 2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine

2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine (PubChem CID 63691468) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine
PubChem CID63691468
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine
SMILESCCOCCN(CC)/C(N)=N/C1CC1
InChIInChI=1S/C10H21N3O/c1-3-13(7-8-14-4-2)10(11)12-9-5-6-9/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyHLGCOGWMRLWRGW-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': '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 2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine?
The IUPAC name of 2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine (CID 63691468) is 2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine.
What is the SMILES notation for 2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine?
The canonical SMILES for 2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine is CCOCCN(CC)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine?
The InChIKey is HLGCOGWMRLWRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-13(7-8-14-4-2)10(11)12-9-5-6-9/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine?
2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine 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 2-cyclopropyl-1-(2-ethoxyethyl)-1-ethylguanidine is sourced from PubChem (CID 63691468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).