1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine

C14H30N4O — CID 110964681

IUPAC1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NC(C)(C)C
InChIInChI=1S/C14H30N4O/c1-6-15-13(17-14(3,4)5)16-11-12(2)18-7-9-19-10-8-18/h12H,6-11H2,1-5H3,(H2,15,16,17)
InChIKeyXDUOTRWZZGXOEL-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.06
Rot. Bonds4

About 1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine

1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 110964681) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID110964681
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NC(C)(C)C
InChIInChI=1S/C14H30N4O/c1-6-15-13(17-14(3,4)5)16-11-12(2)18-7-9-19-10-8-18/h12H,6-11H2,1-5H3,(H2,15,16,17)
InChIKeyXDUOTRWZZGXOEL-UHFFFAOYSA-N
XLogP1.06
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.06
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

1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-(3,3-dimethylbutyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021927
1-(2-tert-butylsulfonylethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111573833
1-ethyl-3-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111000702
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110987978
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021484
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111710774
1-tert-butyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 110965014
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-tert-butyl-3-ethyl-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110967225
1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021449

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (CID 110964681) is 1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is XDUOTRWZZGXOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-6-15-13(17-14(3,4)5)16-11-12(2)18-7-9-19-10-8-18/h12H,6-11H2,1-5H3,(H2,15,16,17).
What are the key properties of 1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 270.42 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 110964681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).