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

C17H32N6O — CID 111315660

IUPAC1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCCn1cccn1
InChIInChI=1S/C17H32N6O/c1-4-18-16(19-7-5-9-23-10-6-8-21-23)20-15-17(2,3)22-11-13-24-14-12-22/h6,8,10H,4-5,7,9,11-15H2,1-3H3,(H2,18,19,20)
InChIKeyCTUFNZDTKVUMMI-UHFFFAOYSA-N
MW336.48 g/mol
LogP0.94
Rot. Bonds8

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

1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine (PubChem CID 111315660) has the molecular formula C17H32N6O and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
PubChem CID111315660
Molecular FormulaC17H32N6O
Molecular Weight336.48 g/mol
Exact Mass336.26
IUPAC Name1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)(C)N1CCOCC1)NCCCn1cccn1
InChIInChI=1S/C17H32N6O/c1-4-18-16(19-7-5-9-23-10-6-8-21-23)20-15-17(2,3)22-11-13-24-14-12-22/h6,8,10H,4-5,7,9,11-15H2,1-3H3,(H2,18,19,20)
InChIKeyCTUFNZDTKVUMMI-UHFFFAOYSA-N
XLogP0.94
TPSA66.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine
CID 111313922
1-ethyl-2-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111906425
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111314856
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315275
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111605693
1-ethyl-2-(2-methyl-2-methylsulfanylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111609738
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(5-piperidin-1-ylpentyl)guanidine
CID 111784230
1-ethyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315525
1-[3-[di(propan-2-yl)amino]propyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111692462
1-[7-(dimethylamino)heptyl]-3-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111315759
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]guanidine;hydroiodide
CID 111315889
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111313175

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine (CID 111315660) is 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine is CCN/C(=N\CC(C)(C)N1CCOCC1)NCCCn1cccn1.
What is the InChIKey of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine?
The InChIKey is CTUFNZDTKVUMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6O/c1-4-18-16(19-7-5-9-23-10-6-8-21-23)20-15-17(2,3)22-11-13-24-14-12-22/h6,8,10H,4-5,7,9,11-15H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine?
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-pyrazol-1-ylpropyl)guanidine has a molecular weight of 336.48 g/mol, XLogP of 0.94, 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-(3-pyrazol-1-ylpropyl)guanidine is sourced from PubChem (CID 111315660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).