1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine

C18H28N4O — CID 110988168

IUPAC1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
SMILESCCN/C(=N\CC(c1ccccc1)N1CCOCC1)NC1CC1
InChIInChI=1S/C18H28N4O/c1-2-19-18(21-16-8-9-16)20-14-17(15-6-4-3-5-7-15)22-10-12-23-13-11-22/h3-7,16-17H,2,8-14H2,1H3,(H2,19,20,21)
InChIKeyOVQXFPFVTHWATO-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.78
Rot. Bonds6

About 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine

1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine (PubChem CID 110988168) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
PubChem CID110988168
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine
SMILESCCN/C(=N\CC(c1ccccc1)N1CCOCC1)NC1CC1
InChIInChI=1S/C18H28N4O/c1-2-19-18(21-16-8-9-16)20-14-17(15-6-4-3-5-7-15)22-10-12-23-13-11-22/h3-7,16-17H,2,8-14H2,1H3,(H2,19,20,21)
InChIKeyOVQXFPFVTHWATO-UHFFFAOYSA-N
XLogP1.78
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.78
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-cyclopropyl-3-ethyl-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 110989433
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclopropyl-3-ethylguanidine;hydroiodide
CID 110988225
1-cyclopropyl-3-ethyl-2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 110988194
1-tert-butyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 110965014
1-ethyl-3-(2-morpholin-4-ylethyl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111188142
1-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109474837
1-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111316979
1-ethyl-2-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530423
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110987978
1-cyclopropyl-2-(2,2-diphenylethyl)-3-ethylguanidine;hydroiodide
CID 110989018
1,3-diethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 110924778
1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111236550

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine (CID 110988168) is 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine is CCN/C(=N\CC(c1ccccc1)N1CCOCC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine?
The InChIKey is OVQXFPFVTHWATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-19-18(21-16-8-9-16)20-14-17(15-6-4-3-5-7-15)22-10-12-23-13-11-22/h3-7,16-17H,2,8-14H2,1H3,(H2,19,20,21).
What are the key properties of 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine?
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine has a molecular weight of 316.45 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-(2-morpholin-4-yl-2-phenylethyl)guanidine is sourced from PubChem (CID 110988168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).