2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine

C11H23N3O — CID 109382032

IUPAC2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCC/N=C(\NCC)N(C)CC1CCOC1
InChIInChI=1S/C11H23N3O/c1-4-12-11(13-5-2)14(3)8-10-6-7-15-9-10/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyUJXCNCPGPUOUEC-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.94
Rot. Bonds4

About 2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine

2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 109382032) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
PubChem CID109382032
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
SMILESCC/N=C(\NCC)N(C)CC1CCOC1
InChIInChI=1S/C11H23N3O/c1-4-12-11(13-5-2)14(3)8-10-6-7-15-9-10/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyUJXCNCPGPUOUEC-UHFFFAOYSA-N
XLogP0.94
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.94
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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Related Compounds

1-Methyl-3-(tetrahydro-3-furylmethyl)guanidine
CID 16760148
N-methyl-N'-[(oxolan-3-yl)methyl]guanidine hydrochloride
CID 139034323
3-Ethyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109381969
3-Ethyl-1-methyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109381970
1,2-Dimethyl-1-(oxolan-3-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109382509
1,2-Dimethyl-1-(oxolan-3-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109382510
3-Ethyl-1-methyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109383351
3-Ethyl-1-methyl-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-1-(oxolan-3-ylmethyl)guanidine
CID 109383352
2-(2,2-Difluoroethyl)-3-ethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109383398
3-Ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 109383619
3-Ethyl-1-methyl-1-(oxolan-3-ylmethyl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine
CID 109383620
1,2-Dimethyl-1-(oxolan-3-ylmethyl)-3-(5,5,5-trifluoropentyl)guanidine;hydroiodide
CID 109383729

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine (CID 109382032) is 2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine is CC/N=C(\NCC)N(C)CC1CCOC1.
What is the InChIKey of 2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is UJXCNCPGPUOUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-12-11(13-5-2)14(3)8-10-6-7-15-9-10/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of 2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine?
2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 213.32 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-1-methyl-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 109382032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).