1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine

C21H40N6O — CID 111935079

IUPAC1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCc1c(C)nn(C)c1C
InChIInChI=1S/C21H40N6O/c1-7-22-21(23-9-8-20-17(4)25-26(6)18(20)5)24-15-19(14-16(2)3)27-10-12-28-13-11-27/h16,19H,7-15H2,1-6H3,(H2,22,23,24)
InChIKeyQBTQEMKKQZSGPS-UHFFFAOYSA-N
MW392.59 g/mol
LogP1.88
Rot. Bonds9

About 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine

1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine (PubChem CID 111935079) has the molecular formula C21H40N6O and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
PubChem CID111935079
Molecular FormulaC21H40N6O
Molecular Weight392.59 g/mol
Exact Mass392.33
IUPAC Name1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCc1c(C)nn(C)c1C
InChIInChI=1S/C21H40N6O/c1-7-22-21(23-9-8-20-17(4)25-26(6)18(20)5)24-15-19(14-16(2)3)27-10-12-28-13-11-27/h16,19H,7-15H2,1-6H3,(H2,22,23,24)
InChIKeyQBTQEMKKQZSGPS-UHFFFAOYSA-N
XLogP1.88
TPSA66.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.59
LogP ≤ 51.88
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'}

Analyze 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188064
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 111936183
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-prop-2-ynylguanidine
CID 111848569
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111935782
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]guanidine;hydroiodide
CID 111935040
1-ethyl-2-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111325998
N-[2-[[N-ethyl-N'-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]-4-methyl-1,3-thiazole-5-carboxamide;hydroiodide
CID 111935426
1-ethyl-3-(3-methylbutan-2-yl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111002772
1-ethyl-3-(3-hydroxy-3-phenylpropyl)-2-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111665395
1-ethyl-2-(2-ethylhexyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111127889
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-prop-2-enylsulfanylethyl)guanidine;hydroiodide
CID 111935886
2-butyl-1-ethyl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine
CID 111150920

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine (CID 111935079) is 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine is CCN/C(=N\CC(CC(C)C)N1CCOCC1)NCCc1c(C)nn(C)c1C.
What is the InChIKey of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine?
The InChIKey is QBTQEMKKQZSGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N6O/c1-7-22-21(23-9-8-20-17(4)25-26(6)18(20)5)24-15-19(14-16(2)3)27-10-12-28-13-11-27/h16,19H,7-15H2,1-6H3,(H2,22,23,24).
What are the key properties of 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine?
1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine has a molecular weight of 392.59 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(4-methyl-2-morpholin-4-ylpentyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]guanidine is sourced from PubChem (CID 111935079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).