1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine

C20H38N4O2 — CID 109390822

IUPAC1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\CCC(=O)N1CCCC1)NC1CC(OCC)C1(CC)CC
InChIInChI=1S/C20H38N4O2/c1-5-20(6-2)16(15-17(20)26-8-4)23-19(21-7-3)22-12-11-18(25)24-13-9-10-14-24/h16-17H,5-15H2,1-4H3,(H2,21,22,23)
InChIKeyNFAXTGSQBPJPLO-UHFFFAOYSA-N
MW366.55 g/mol
LogP2.54
Rot. Bonds9

About 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine

1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine (PubChem CID 109390822) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine.

Molecular Properties

Compound Name1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
PubChem CID109390822
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC Name1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
SMILESCCN/C(=N\CCC(=O)N1CCCC1)NC1CC(OCC)C1(CC)CC
InChIInChI=1S/C20H38N4O2/c1-5-20(6-2)16(15-17(20)26-8-4)23-19(21-7-3)22-12-11-18(25)24-13-9-10-14-24/h16-17H,5-15H2,1-4H3,(H2,21,22,23)
InChIKeyNFAXTGSQBPJPLO-UHFFFAOYSA-N
XLogP2.54
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 52.54
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

2-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 109390574
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-[2-(ethylsulfonylamino)ethyl]guanidine
CID 109390558
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-[3-(oxan-4-yloxy)propyl]guanidine;hydroiodide
CID 109390803
3-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 109390645
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)guanidine;hydroiodide
CID 109390649
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 109390712
1-(1-cyclopentylpyrrolidin-3-yl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111919018
4-[[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 109390559
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 109390897
1-(3-ethoxyspiro[3.4]octan-1-yl)-3-ethyl-2-propylguanidine;hydroiodide
CID 111756527
1-ethyl-3-(1-methoxypropan-2-yl)-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 111237031
2-(3-ethoxypropyl)-1-ethyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111224260

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine?
The IUPAC name of 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine (CID 109390822) is 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine.
What is the SMILES notation for 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine?
The canonical SMILES for 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine is CCN/C(=N\CCC(=O)N1CCCC1)NC1CC(OCC)C1(CC)CC.
What is the InChIKey of 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine?
The InChIKey is NFAXTGSQBPJPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-5-20(6-2)16(15-17(20)26-8-4)23-19(21-7-3)22-12-11-18(25)24-13-9-10-14-24/h16-17H,5-15H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine?
1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine has a molecular weight of 366.55 g/mol, XLogP of 2.54, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2,2-diethylcyclobutyl)-3-ethyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine is sourced from PubChem (CID 109390822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).