2-ethyl-1-methyl-1-(oxan-4-yl)guanidine

C9H19N3O — CID 62364529

IUPAC2-ethyl-1-methyl-1-(oxan-4-yl)guanidine
SMILESCC/N=C(\N)N(C)C1CCOCC1
InChIInChI=1S/C9H19N3O/c1-3-11-9(10)12(2)8-4-6-13-7-5-8/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyGQLNMIRVMCCEFE-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.43
Rot. Bonds2

About 2-ethyl-1-methyl-1-(oxan-4-yl)guanidine

2-ethyl-1-methyl-1-(oxan-4-yl)guanidine (PubChem CID 62364529) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-ethyl-1-methyl-1-(oxan-4-yl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-methyl-1-(oxan-4-yl)guanidine
PubChem CID62364529
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-ethyl-1-methyl-1-(oxan-4-yl)guanidine
SMILESCC/N=C(\N)N(C)C1CCOCC1
InChIInChI=1S/C9H19N3O/c1-3-11-9(10)12(2)8-4-6-13-7-5-8/h8H,3-7H2,1-2H3,(H2,10,11)
InChIKeyGQLNMIRVMCCEFE-UHFFFAOYSA-N
XLogP0.43
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.43
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 2-ethyl-1-methyl-1-(oxan-4-yl)guanidine?
The IUPAC name of 2-ethyl-1-methyl-1-(oxan-4-yl)guanidine (CID 62364529) is 2-ethyl-1-methyl-1-(oxan-4-yl)guanidine.
What is the SMILES notation for 2-ethyl-1-methyl-1-(oxan-4-yl)guanidine?
The canonical SMILES for 2-ethyl-1-methyl-1-(oxan-4-yl)guanidine is CC/N=C(\N)N(C)C1CCOCC1.
What is the InChIKey of 2-ethyl-1-methyl-1-(oxan-4-yl)guanidine?
The InChIKey is GQLNMIRVMCCEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-11-9(10)12(2)8-4-6-13-7-5-8/h8H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 2-ethyl-1-methyl-1-(oxan-4-yl)guanidine?
2-ethyl-1-methyl-1-(oxan-4-yl)guanidine has a molecular weight of 185.27 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-1-(oxan-4-yl)guanidine is sourced from PubChem (CID 62364529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).