1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine

C11H21N3O — CID 111607567

IUPAC1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CC(C)(C)OC)NCC
InChIInChI=1S/C11H21N3O/c1-6-8-13-10(12-7-2)14-9-11(3,4)15-5/h1H,7-9H2,2-5H3,(H2,12,13,14)
InChIKeyGLPBFJOZENPUDH-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.60
Rot. Bonds5

About 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine

1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine (PubChem CID 111607567) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine
PubChem CID111607567
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CC(C)(C)OC)NCC
InChIInChI=1S/C11H21N3O/c1-6-8-13-10(12-7-2)14-9-11(3,4)15-5/h1H,7-9H2,2-5H3,(H2,12,13,14)
InChIKeyGLPBFJOZENPUDH-UHFFFAOYSA-N
XLogP0.60
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 104888774
1-ethyl-3-(2-methoxyethyl)-2-(2-methoxy-2-methylpropyl)guanidine
CID 111606699
1-ethyl-2-[2-(4-methoxyphenyl)-2-methylpropyl]-3-prop-2-ynylguanidine
CID 111850268
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[2-(4-prop-2-ynoxyphenyl)ethyl]guanidine;hydroiodide
CID 111607700
1-[3-(dimethylamino)propyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine
CID 111608209
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-prop-2-ynylguanidine
CID 111321466
1-[2-(diethylamino)propyl]-3-ethyl-2-(2-methoxy-2-methylpropyl)guanidine;hydroiodide
CID 111607126
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-(2-methylcyclopropyl)guanidine
CID 111608407
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methyl-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111605270
1-ethyl-3-[3-(methanesulfonamido)propyl]-2-(2-methoxy-2-methylpropyl)guanidine
CID 111605245
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-methyl-2-phenylpropyl)guanidine;hydroiodide
CID 111607614

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine?
The IUPAC name of 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine (CID 111607567) is 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine?
The canonical SMILES for 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine is C#CCN/C(=N/CC(C)(C)OC)NCC.
What is the InChIKey of 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine?
The InChIKey is GLPBFJOZENPUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-6-8-13-10(12-7-2)14-9-11(3,4)15-5/h1H,7-9H2,2-5H3,(H2,12,13,14).
What are the key properties of 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine?
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine has a molecular weight of 211.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methoxy-2-methylpropyl)-3-prop-2-ynylguanidine is sourced from PubChem (CID 111607567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).