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

C10H21N3O — CID 63707045

IUPAC2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine
SMILESCC/N=C(\N)N(C)CC1CCOCC1
InChIInChI=1S/C10H21N3O/c1-3-12-10(11)13(2)8-9-4-6-14-7-5-9/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyJDBMQQFGTQUQAU-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.68
Rot. Bonds3

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

2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine (PubChem CID 63707045) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine.

Molecular Properties

Compound Name2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine
PubChem CID63707045
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine
SMILESCC/N=C(\N)N(C)CC1CCOCC1
InChIInChI=1S/C10H21N3O/c1-3-12-10(11)13(2)8-9-4-6-14-7-5-9/h9H,3-8H2,1-2H3,(H2,11,12)
InChIKeyJDBMQQFGTQUQAU-UHFFFAOYSA-N
XLogP0.68
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.68
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'}

Analyze 2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine?
The IUPAC name of 2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine (CID 63707045) is 2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine.
What is the SMILES notation for 2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine?
The canonical SMILES for 2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine is CC/N=C(\N)N(C)CC1CCOCC1.
What is the InChIKey of 2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine?
The InChIKey is JDBMQQFGTQUQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-12-10(11)13(2)8-9-4-6-14-7-5-9/h9H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of 2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine?
2-ethyl-1-methyl-1-(oxan-4-ylmethyl)guanidine has a molecular weight of 199.30 g/mol, XLogP of 0.68, 3 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-ylmethyl)guanidine is sourced from PubChem (CID 63707045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).