1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine

C18H34N6O — CID 111313922

IUPAC1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCC(C)Cn1cccn1
InChIInChI=1S/C18H34N6O/c1-5-19-17(20-13-16(2)14-24-8-6-7-22-24)21-15-18(3,4)23-9-11-25-12-10-23/h6-8,16H,5,9-15H2,1-4H3,(H2,19,20,21)
InChIKeyRNPANDDIRFNHTA-UHFFFAOYSA-N
MW350.51 g/mol
LogP1.19
Rot. Bonds8

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

1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (PubChem CID 111313922) has the molecular formula C18H34N6O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
PubChem CID111313922
Molecular FormulaC18H34N6O
Molecular Weight350.51 g/mol
Exact Mass350.28
IUPAC Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCC(C)Cn1cccn1
InChIInChI=1S/C18H34N6O/c1-5-19-17(20-13-16(2)14-24-8-6-7-22-24)21-15-18(3,4)23-9-11-25-12-10-23/h6-8,16H,5,9-15H2,1-4H3,(H2,19,20,21)
InChIKeyRNPANDDIRFNHTA-UHFFFAOYSA-N
XLogP1.19
TPSA66.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111315660
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022014
1-ethyl-3-[2-(N-methylanilino)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111314081
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315275
1-ethyl-2-(2-methyl-2-piperidin-1-ylpropyl)-3-(2-methylpropyl)guanidine
CID 111179212
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284840
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111315446
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111692462
1-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111757270
1-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314474
1-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111305053
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111966292

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine (CID 111313922) is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is CCN/C(=N\CC(C)(C)N1CCOCC1)NCC(C)Cn1cccn1.
What is the InChIKey of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
The InChIKey is RNPANDDIRFNHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N6O/c1-5-19-17(20-13-16(2)14-24-8-6-7-22-24)21-15-18(3,4)23-9-11-25-12-10-23/h6-8,16H,5,9-15H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine?
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine has a molecular weight of 350.51 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine is sourced from PubChem (CID 111313922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).