1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine

C10H23N3O — CID 62361461

IUPAC1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
SMILESCCN(CCOC)/C(N)=N/CC(C)C
InChIInChI=1S/C10H23N3O/c1-5-13(6-7-14-4)10(11)12-8-9(2)3/h9H,5-8H2,1-4H3,(H2,11,12)
InChIKeyHIFKAXPUNZHFRW-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.93
Rot. Bonds6

About 1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine

1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine (PubChem CID 62361461) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
PubChem CID62361461
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
SMILESCCN(CCOC)/C(N)=N/CC(C)C
InChIInChI=1S/C10H23N3O/c1-5-13(6-7-14-4)10(11)12-8-9(2)3/h9H,5-8H2,1-4H3,(H2,11,12)
InChIKeyHIFKAXPUNZHFRW-UHFFFAOYSA-N
XLogP0.93
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.93
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-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine (CID 62361461) is 1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine is CCN(CCOC)/C(N)=N/CC(C)C.
What is the InChIKey of 1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
The InChIKey is HIFKAXPUNZHFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-5-13(6-7-14-4)10(11)12-8-9(2)3/h9H,5-8H2,1-4H3,(H2,11,12).
What are the key properties of 1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine?
1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine has a molecular weight of 201.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 62361461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).