1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine

C12H22N4O — CID 136924073

IUPAC1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCN1CCOCC1)NCC
InChIInChI=1S/C12H22N4O/c1-3-5-14-12(13-4-2)15-6-7-16-8-10-17-11-9-16/h1H,4-11H2,2H3,(H2,13,14,15)
InChIKeyZIURFIIVACYKMO-UHFFFAOYSA-N
MW238.33 g/mol
LogP-0.49
Rot. Bonds5

About 1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine

1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine (PubChem CID 136924073) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine
PubChem CID136924073
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine
SMILESC#CCN/C(=N/CCN1CCOCC1)NCC
InChIInChI=1S/C12H22N4O/c1-3-5-14-12(13-4-2)15-6-7-16-8-10-17-11-9-16/h1H,4-11H2,2H3,(H2,13,14,15)
InChIKeyZIURFIIVACYKMO-UHFFFAOYSA-N
XLogP-0.49
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-ethyl-2-(3-morpholin-4-ylpropyl)-3-prop-2-ynylguanidine
CID 136925418
1-ethyl-2-[2-(3-methylmorpholin-4-yl)ethyl]-3-prop-2-ynylguanidine;hydroiodide
CID 137060589
1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-morpholin-4-ylethyl)guanidine
CID 111188233
1-ethyl-3-prop-2-ynyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 136921962
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylethyl)guanidine
CID 111187173
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188192
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 136921964
2-[2-(4-acetylpiperazin-1-yl)ethyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188316
1-ethyl-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-prop-2-ynylguanidine;hydroiodide
CID 111848824
1-(2-butoxyethyl)-3-ethyl-2-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188770
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 136926559
1-ethyl-2-[4-(4-methylpiperazin-1-yl)butyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111187649

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine?
The IUPAC name of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine (CID 136924073) is 1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine.
What is the SMILES notation for 1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine?
The canonical SMILES for 1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine is C#CCN/C(=N/CCN1CCOCC1)NCC.
What is the InChIKey of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine?
The InChIKey is ZIURFIIVACYKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-5-14-12(13-4-2)15-6-7-16-8-10-17-11-9-16/h1H,4-11H2,2H3,(H2,13,14,15).
What are the key properties of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine?
1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine has a molecular weight of 238.33 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-morpholin-4-ylethyl)-3-prop-2-ynylguanidine is sourced from PubChem (CID 136924073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).