2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine

C10H23N3O2 — CID 62362134

IUPAC2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
SMILESCC/N=C(\N)N(CCCOC)CCOC
InChIInChI=1S/C10H23N3O2/c1-4-12-10(11)13(7-9-15-3)6-5-8-14-2/h4-9H2,1-3H3,(H2,11,12)
InChIKeyWCRGRZNWRJLQDQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.31
Rot. Bonds8

About 2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine

2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine (PubChem CID 62362134) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
PubChem CID62362134
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
SMILESCC/N=C(\N)N(CCCOC)CCOC
InChIInChI=1S/C10H23N3O2/c1-4-12-10(11)13(7-9-15-3)6-5-8-14-2/h4-9H2,1-3H3,(H2,11,12)
InChIKeyWCRGRZNWRJLQDQ-UHFFFAOYSA-N
XLogP0.31
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.31
H-Bond Donors ≤ 51
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 2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The IUPAC name of 2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine (CID 62362134) is 2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine.
What is the SMILES notation for 2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The canonical SMILES for 2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine is CC/N=C(\N)N(CCCOC)CCOC.
What is the InChIKey of 2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The InChIKey is WCRGRZNWRJLQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-4-12-10(11)13(7-9-15-3)6-5-8-14-2/h4-9H2,1-3H3,(H2,11,12).
What are the key properties of 2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine has a molecular weight of 217.31 g/mol, XLogP of 0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine is sourced from PubChem (CID 62362134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).