1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

C13H25IN4O — CID 111040239

IUPAC1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(=O)N1CCCC1)NC1CCCCC1
InChIInChI=1S/C13H24N4O.HI/c14-13(16-11-6-2-1-3-7-11)15-10-12(18)17-8-4-5-9-17;/h11H,1-10H2,(H3,14,15,16);1H
InChIKeyYFPOGRVERRACNC-UHFFFAOYSA-N
MW380.27 g/mol
LogP1.46
Rot. Bonds3

About 1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide

1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (PubChem CID 111040239) has the molecular formula C13H25IN4O and a molecular weight of 380.27 g/mol. Its IUPAC name is 1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
PubChem CID111040239
Molecular FormulaC13H25IN4O
Molecular Weight380.27 g/mol
Exact Mass380.11
IUPAC Name1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
SMILESI.N/C(=N\CC(=O)N1CCCC1)NC1CCCCC1
InChIInChI=1S/C13H24N4O.HI/c14-13(16-11-6-2-1-3-7-11)15-10-12(18)17-8-4-5-9-17;/h11H,1-10H2,(H3,14,15,16);1H
InChIKeyYFPOGRVERRACNC-UHFFFAOYSA-N
XLogP1.46
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 51.46
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111058289
1-cyclopentyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 119120815
1-cyclopropyl-2-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine
CID 115600945
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclohexylguanidine
CID 111093138
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide
CID 119121156
ethyl 2-[[amino-(cyclohexylamino)methylidene]amino]acetate
CID 62361877
1-cyclohexyl-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]guanidine
CID 111098035
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941929
N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941998
1-cyclohexyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111806095
N'-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carboximidamide
CID 111040316

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide (CID 111040239) is 1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is I.N/C(=N\CC(=O)N1CCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
The InChIKey is YFPOGRVERRACNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.HI/c14-13(16-11-6-2-1-3-7-11)15-10-12(18)17-8-4-5-9-17;/h11H,1-10H2,(H3,14,15,16);1H.
What are the key properties of 1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide?
1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide has a molecular weight of 380.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111040239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).