1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine

C20H34N4O2S — CID 111703504

IUPAC1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C1CCOC1)N1CCOCC1)NCC(C)c1ccsc1
InChIInChI=1S/C20H34N4O2S/c1-3-21-20(22-12-16(2)18-5-11-27-15-18)23-13-19(17-4-8-26-14-17)24-6-9-25-10-7-24/h5,11,15-17,19H,3-4,6-10,12-14H2,1-2H3,(H2,21,22,23)
InChIKeySAHNVVLYPOQXFV-UHFFFAOYSA-N
MW394.59 g/mol
LogP2.14
Rot. Bonds8

About 1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine

1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine (PubChem CID 111703504) has the molecular formula C20H34N4O2S and a molecular weight of 394.59 g/mol. Its IUPAC name is 1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine
PubChem CID111703504
Molecular FormulaC20H34N4O2S
Molecular Weight394.59 g/mol
Exact Mass394.24
IUPAC Name1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C1CCOC1)N1CCOCC1)NCC(C)c1ccsc1
InChIInChI=1S/C20H34N4O2S/c1-3-21-20(22-12-16(2)18-5-11-27-15-18)23-13-19(17-4-8-26-14-17)24-6-9-25-10-7-24/h5,11,15-17,19H,3-4,6-10,12-14H2,1-2H3,(H2,21,22,23)
InChIKeySAHNVVLYPOQXFV-UHFFFAOYSA-N
XLogP2.14
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.59
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-ethyl-2-(2-methyl-2-thiophen-2-ylpropyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
CID 111581718
1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
CID 109475253
1-ethyl-2-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111702965
1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-octan-2-ylguanidine;hydroiodide
CID 111212460
1-ethyl-2-[2-(4-ethylphenyl)-2-methylpropyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine;hydroiodide
CID 109465223
1-ethyl-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111702778
2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111499960
1-ethyl-2-(2-hydroxy-3-phenylpropyl)-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111990672
1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111914121
1-ethyl-2-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111703298
1-ethyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111704578
1-ethyl-2-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111704070

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine (CID 111703504) is 1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine is CCN/C(=N\CC(C1CCOC1)N1CCOCC1)NCC(C)c1ccsc1.
What is the InChIKey of 1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine?
The InChIKey is SAHNVVLYPOQXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2S/c1-3-21-20(22-12-16(2)18-5-11-27-15-18)23-13-19(17-4-8-26-14-17)24-6-9-25-10-7-24/h5,11,15-17,19H,3-4,6-10,12-14H2,1-2H3,(H2,21,22,23).
What are the key properties of 1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine?
1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine has a molecular weight of 394.59 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine is sourced from PubChem (CID 111703504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).