2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide

C18H34IN5O — CID 111567374

IUPAC2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
SMILESI.N/C(=N\CCN1CCN(C(=O)C2CCC2)CC1)NC1CCCCC1
InChIInChI=1S/C18H33N5O.HI/c19-18(21-16-7-2-1-3-8-16)20-9-10-22-11-13-23(14-12-22)17(24)15-5-4-6-15;/h15-16H,1-14H2,(H3,19,20,21);1H
InChIKeyTXHVFMOSZOEBBP-UHFFFAOYSA-N
MW463.41 g/mol
LogP1.79
Rot. Bonds5

About 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide

2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide (PubChem CID 111567374) has the molecular formula C18H34IN5O and a molecular weight of 463.41 g/mol. Its IUPAC name is 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
PubChem CID111567374
Molecular FormulaC18H34IN5O
Molecular Weight463.41 g/mol
Exact Mass463.18
IUPAC Name2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide
SMILESI.N/C(=N\CCN1CCN(C(=O)C2CCC2)CC1)NC1CCCCC1
InChIInChI=1S/C18H33N5O.HI/c19-18(21-16-7-2-1-3-8-16)20-9-10-22-11-13-23(14-12-22)17(24)15-5-4-6-15;/h15-16H,1-14H2,(H3,19,20,21);1H
InChIKeyTXHVFMOSZOEBBP-UHFFFAOYSA-N
XLogP1.79
TPSA73.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 51.79
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]guanidine;hydroiodide
CID 111806095
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119147656
1-cyclopentyl-2-(2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 119117536
1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
CID 111752643
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(4-methylphenyl)guanidine
CID 111811838
N'-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111806077
1-cyclopentyl-2-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 62367881
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-phenylethyl)guanidine
CID 111811866
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111567241
1-cyclohexyl-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059840
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
1-cyclohexyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111040239

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide?
The IUPAC name of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide (CID 111567374) is 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide?
The canonical SMILES for 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide is I.N/C(=N\CCN1CCN(C(=O)C2CCC2)CC1)NC1CCCCC1.
What is the InChIKey of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide?
The InChIKey is TXHVFMOSZOEBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O.HI/c19-18(21-16-7-2-1-3-8-16)20-9-10-22-11-13-23(14-12-22)17(24)15-5-4-6-15;/h15-16H,1-14H2,(H3,19,20,21);1H.
What are the key properties of 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide?
2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide has a molecular weight of 463.41 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-1-cyclohexylguanidine;hydroiodide is sourced from PubChem (CID 111567374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).