1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine

C18H38N4O2 — CID 111718204

IUPAC1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCC(OCC)C(C)C
InChIInChI=1S/C18H38N4O2/c1-6-19-18(20-9-8-17(15(3)4)24-7-2)21-14-16(5)22-10-12-23-13-11-22/h15-17H,6-14H2,1-5H3,(H2,19,20,21)
InChIKeyMIKADQIILPXRMR-UHFFFAOYSA-N
MW342.53 g/mol
LogP1.71
Rot. Bonds10

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

1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111718204) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111718204
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC Name1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCC(OCC)C(C)C
InChIInChI=1S/C18H38N4O2/c1-6-19-18(20-9-8-17(15(3)4)24-7-2)21-14-16(5)22-10-12-23-13-11-22/h15-17H,6-14H2,1-5H3,(H2,19,20,21)
InChIKeyMIKADQIILPXRMR-UHFFFAOYSA-N
XLogP1.71
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethoxy-4-methylpentyl)-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111717868
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111718374
1-(3,3-dimethylbutyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111021927
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-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021484
1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111717887
1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]guanidine;hydroiodide
CID 111718139
1-(2-tert-butylsulfonylethyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111573833
1-[2-(cyclopropylmethoxy)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111760388
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111710774

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine (CID 111718204) is 1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NCCC(OCC)C(C)C.
What is the InChIKey of 1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is MIKADQIILPXRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O2/c1-6-19-18(20-9-8-17(15(3)4)24-7-2)21-14-16(5)22-10-12-23-13-11-22/h15-17H,6-14H2,1-5H3,(H2,19,20,21).
What are the key properties of 1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine?
1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 342.53 g/mol, XLogP of 1.71, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111718204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).