1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine

C14H30N4O — CID 111021449

IUPAC1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCC(C)N1CCOCC1
InChIInChI=1S/C14H30N4O/c1-5-15-14(16-10-12(2)3)17-11-13(4)18-6-8-19-9-7-18/h12-13H,5-11H2,1-4H3,(H2,15,16,17)
InChIKeyCUISAZQTJPLHJM-UHFFFAOYSA-N
MW270.42 g/mol
LogP0.92
Rot. Bonds6

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

1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111021449) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111021449
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCC(C)N1CCOCC1
InChIInChI=1S/C14H30N4O/c1-5-15-14(16-10-12(2)3)17-11-13(4)18-6-8-19-9-7-18/h12-13H,5-11H2,1-4H3,(H2,15,16,17)
InChIKeyCUISAZQTJPLHJM-UHFFFAOYSA-N
XLogP0.92
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 50.92
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-ethyl-2-(2-ethylbutyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111778316
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111499960
1-ethyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022093
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111760391
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111607630
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022014
1-ethyl-2-[(4-ethylsulfanyloxan-4-yl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111827267
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022063
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111710774
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111021502
1-ethyl-2-[(4-methylsulfanyloxan-4-yl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111510310

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine (CID 111021449) is 1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)C)NCC(C)N1CCOCC1.
What is the InChIKey of 1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is CUISAZQTJPLHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c1-5-15-14(16-10-12(2)3)17-11-13(4)18-6-8-19-9-7-18/h12-13H,5-11H2,1-4H3,(H2,15,16,17).
What are the key properties of 1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine?
1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 270.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111021449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).