1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine

C19H36N4O — CID 109469071

IUPAC1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCCC(CC)N1CCCC1=O
InChIInChI=1S/C19H36N4O/c1-4-16(23-14-7-9-17(23)24)10-13-21-18(20-6-3)22-15-19(5-2)11-8-12-19/h16H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyXHHYWNSKBJUUAQ-UHFFFAOYSA-N
MW336.52 g/mol
LogP2.91
Rot. Bonds9

About 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine

1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine (PubChem CID 109469071) has the molecular formula C19H36N4O and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
PubChem CID109469071
Molecular FormulaC19H36N4O
Molecular Weight336.52 g/mol
Exact Mass336.29
IUPAC Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCCC(CC)N1CCCC1=O
InChIInChI=1S/C19H36N4O/c1-4-16(23-14-7-9-17(23)24)10-13-21-18(20-6-3)22-15-19(5-2)11-8-12-19/h16H,4-15H2,1-3H3,(H2,20,21,22)
InChIKeyXHHYWNSKBJUUAQ-UHFFFAOYSA-N
XLogP2.91
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(azepan-1-yl)propyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 111324482
1-ethyl-2-[(2-methylphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 111360505
1-ethyl-2-(2-hydroxy-2-phenylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
CID 109417201
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
CID 111175538
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
CID 111183829
1-ethyl-2-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
CID 111654003
2-(3-cyclohexyloxypropyl)-1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 111398031
4-[[[ethylamino-[3-(2-oxopyrrolidin-1-yl)pentylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111873755
1-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine;hydroiodide
CID 111371258
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxyethyl)guanidine
CID 109469706
1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]-2-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111012607
2-methyl-1-[3-(2-oxopyrrolidin-1-yl)pentyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109471883

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine?
The IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine (CID 109469071) is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine is CCN/C(=N\CC1(CC)CCC1)NCCC(CC)N1CCCC1=O.
What is the InChIKey of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine?
The InChIKey is XHHYWNSKBJUUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O/c1-4-16(23-14-7-9-17(23)24)10-13-21-18(20-6-3)22-15-19(5-2)11-8-12-19/h16H,4-15H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine?
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine has a molecular weight of 336.52 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine is sourced from PubChem (CID 109469071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).