1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine

C12H26N4O — CID 110915060

IUPAC1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCNC(=NCC(C)N1CCOCC1)NCC
InChIInChI=1S/C12H26N4O/c1-4-13-12(14-5-2)15-10-11(3)16-6-8-17-9-7-16/h11H,4-10H2,1-3H3,(H2,13,14,15)
InChIKeyBLLSEUVNVDRHCI-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.28
Rot. Bonds5

About 1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine

1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 110915060) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID110915060
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCNC(=NCC(C)N1CCOCC1)NCC
InChIInChI=1S/C12H26N4O/c1-4-13-12(14-5-2)15-10-11(3)16-6-8-17-9-7-16/h11H,4-10H2,1-3H3,(H2,13,14,15)
InChIKeyBLLSEUVNVDRHCI-UHFFFAOYSA-N
XLogP0.28
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.28
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'}

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Related Compounds

1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110964681
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111000702
1-(3,3-dimethylbutyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021927
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110987978
1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021449
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021484
1-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055251
1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111195780
1-(2-tert-butylsulfonylethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111573833
1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022093
1-ethyl-2-(2-ethylbutyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111778316
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022063

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine (CID 110915060) is 1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine is CCNC(=NCC(C)N1CCOCC1)NCC.
What is the InChIKey of 1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is BLLSEUVNVDRHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-4-13-12(14-5-2)15-10-11(3)16-6-8-17-9-7-16/h11H,4-10H2,1-3H3,(H2,13,14,15).
What are the key properties of 1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine?
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 242.37 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 110915060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).