1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine

C17H36N4O — CID 111195780

IUPAC1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCCCCC(C)N/C(=N/CC(C)N1CCOCC1)NCC
InChIInChI=1S/C17H36N4O/c1-5-7-8-9-15(3)20-17(18-6-2)19-14-16(4)21-10-12-22-13-11-21/h15-16H,5-14H2,1-4H3,(H2,18,19,20)
InChIKeyDKTDKAXGFNRNJI-UHFFFAOYSA-N
MW312.50 g/mol
LogP2.23
Rot. Bonds9

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

1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111195780) has the molecular formula C17H36N4O and a molecular weight of 312.50 g/mol. Its IUPAC name is 1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111195780
Molecular FormulaC17H36N4O
Molecular Weight312.50 g/mol
Exact Mass312.29
IUPAC Name1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCCCCC(C)N/C(=N/CC(C)N1CCOCC1)NCC
InChIInChI=1S/C17H36N4O/c1-5-7-8-9-15(3)20-17(18-6-2)19-14-16(4)21-10-12-22-13-11-21/h15-16H,5-14H2,1-4H3,(H2,18,19,20)
InChIKeyDKTDKAXGFNRNJI-UHFFFAOYSA-N
XLogP2.23
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-(3-methylbutan-2-yl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111000702
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-octan-2-ylguanidine;hydroiodide
CID 111212368
1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-octan-2-ylguanidine;hydroiodide
CID 111212460
1-ethyl-2-(3-morpholin-4-ylpropyl)-3-octan-2-ylguanidine;hydroiodide
CID 111212512
1-ethyl-3-heptan-2-yl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111195537
1-tert-butyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110964681
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110987978
1-(3,3-dimethylbutyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021927
1-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111055251
1-ethyl-2-(2-morpholin-4-ylpropyl)-3-(2-propylcyclopropyl)guanidine
CID 111713658
1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021449

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine (CID 111195780) is 1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine is CCCCCC(C)N/C(=N/CC(C)N1CCOCC1)NCC.
What is the InChIKey of 1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is DKTDKAXGFNRNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N4O/c1-5-7-8-9-15(3)20-17(18-6-2)19-14-16(4)21-10-12-22-13-11-21/h15-16H,5-14H2,1-4H3,(H2,18,19,20).
What are the key properties of 1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine?
1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 312.50 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-heptan-2-yl-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111195780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).