1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine

C11H25N3O2 — CID 111606699

IUPAC1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NCCOC
InChIInChI=1S/C11H25N3O2/c1-6-12-10(13-7-8-15-4)14-9-11(2,3)16-5/h6-9H2,1-5H3,(H2,12,13,14)
InChIKeyJAQOUSLWGCJETH-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.61
Rot. Bonds7

About 1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine

1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine (PubChem CID 111606699) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine
PubChem CID111606699
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)OC)NCCOC
InChIInChI=1S/C11H25N3O2/c1-6-12-10(13-7-8-15-4)14-9-11(2,3)16-5/h6-9H2,1-5H3,(H2,12,13,14)
InChIKeyJAQOUSLWGCJETH-UHFFFAOYSA-N
XLogP0.61
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.61
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

3-[[ethylamino-(2-methoxyethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110942506
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[2-(4-methoxyphenoxy)ethyl]guanidine;hydroiodide
CID 111606212
1-ethyl-2,3-bis(2-methoxyethyl)guanidine
CID 110940924
1-[3-(dimethylamino)propyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 111608209
1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 104888774
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 111606073
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine
CID 111607567
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(3-phenoxypropyl)guanidine
CID 111605681
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-phenylsulfanylethyl)guanidine
CID 111606225
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(2-methoxy-2-methylpropyl)guanidine
CID 111605245
1-ethyl-3-[2-(4-ethylpiperazin-1-yl)ethyl]-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607626
ethyl 4-[[N-ethyl-N'-(2-methoxy-2-methylpropyl)carbamimidoyl]amino]butanoate
CID 111607873

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine (CID 111606699) is 1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine is CCN/C(=N\CC(C)(C)OC)NCCOC.
What is the InChIKey of 1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine?
The InChIKey is JAQOUSLWGCJETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-6-12-10(13-7-8-15-4)14-9-11(2,3)16-5/h6-9H2,1-5H3,(H2,12,13,14).
What are the key properties of 1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine?
1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine has a molecular weight of 231.34 g/mol, XLogP of 0.61, 7 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-(2-methoxy-2-methylpropyl)guanidine is sourced from PubChem (CID 111606699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).