1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine

C11H23N3O2 — CID 110940944

IUPAC1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCCO1)NCCOC
InChIInChI=1S/C11H23N3O2/c1-3-12-11(13-6-8-15-2)14-9-10-5-4-7-16-10/h10H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeyOICSXAATMNSDOJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.37
Rot. Bonds6

About 1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine

1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine (PubChem CID 110940944) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine
PubChem CID110940944
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine
SMILESCCN/C(=N\CC1CCCO1)NCCOC
InChIInChI=1S/C11H23N3O2/c1-3-12-11(13-6-8-15-2)14-9-10-5-4-7-16-10/h10H,3-9H2,1-2H3,(H2,12,13,14)
InChIKeyOICSXAATMNSDOJ-UHFFFAOYSA-N
XLogP0.37
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.37
H-Bond Donors ≤ 52
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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Related Compounds

N-[2-[[N-ethyl-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]acetamide
CID 111137421
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(oxolan-2-ylmethyl)guanidine
CID 111136459
1-ethyl-2-(oxolan-2-ylmethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 111778341
1-ethyl-3-[2-(4-methylphenoxy)ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136458
methyl 5-[[N-ethyl-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]pentanoate;hydroiodide
CID 111139630
1-tert-butyl-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 110965796
N-[2-[[N-ethyl-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111139469
1-ethyl-3-(4-methylpentyl)-2-(oxolan-2-ylmethyl)guanidine
CID 111137863
N-[2-[[N-ethyl-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111136475
1-ethyl-3-(2-methylsulfonylethyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137222
1-[2-(furan-2-yl)ethyl]-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111491741
2-(cyclooctylmethyl)-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110939822

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine (CID 110940944) is 1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine is CCN/C(=N\CC1CCCO1)NCCOC.
What is the InChIKey of 1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine?
The InChIKey is OICSXAATMNSDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-12-11(13-6-8-15-2)14-9-10-5-4-7-16-10/h10H,3-9H2,1-2H3,(H2,12,13,14).
What are the key properties of 1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine?
1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine has a molecular weight of 229.32 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methoxyethyl)-2-(oxolan-2-ylmethyl)guanidine is sourced from PubChem (CID 110940944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).