1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide

C19H29IN4 — CID 120662989

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide
SMILESI.N/C(=N\C1CC(N2CCCCC2)C1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H28N4.HI/c20-19(21-16-8-7-14-5-4-6-15(14)11-16)22-17-12-18(13-17)23-9-2-1-3-10-23;/h7-8,11,17-18H,1-6,9-10,12-13H2,(H3,20,21,22);1H
InChIKeyKWIXEDMLIOTUAK-UHFFFAOYSA-N
MW440.37 g/mol
LogP3.54
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide

1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide (PubChem CID 120662989) has the molecular formula C19H29IN4 and a molecular weight of 440.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide
PubChem CID120662989
Molecular FormulaC19H29IN4
Molecular Weight440.37 g/mol
Exact Mass440.14
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide
SMILESI.N/C(=N\C1CC(N2CCCCC2)C1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H28N4.HI/c20-19(21-16-8-7-14-5-4-6-15(14)11-16)22-17-12-18(13-17)23-9-2-1-3-10-23;/h7-8,11,17-18H,1-6,9-10,12-13H2,(H3,20,21,22);1H
InChIKeyKWIXEDMLIOTUAK-UHFFFAOYSA-N
XLogP3.54
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 53.54
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-(3,4-dimethoxyphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120663010
1-(3,5-dimethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120663034
1-(3-ethylphenyl)-2-(3-piperidin-1-ylcyclobutyl)guanidine
CID 120662966
2-(3-piperidin-1-ylcyclobutyl)-1-[3-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 120663019
2-[(1R,2S)-2-cyclopropylcyclopropyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 120666060
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074690
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylbutyl)guanidine;hydroiodide
CID 110032395
1,2-bis(2,3-dihydro-1H-inden-5-yl)guanidine;hydrobromide
CID 22675654
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111086787
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-methoxyspiro[3.3]heptan-1-yl)guanidine
CID 122098926
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111086053
2-N-(2,3-dihydro-1H-inden-5-yl)cyclobutane-1,2-dicarboxamide
CID 122134376

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide (CID 120662989) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide is I.N/C(=N\C1CC(N2CCCCC2)C1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide?
The InChIKey is KWIXEDMLIOTUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4.HI/c20-19(21-16-8-7-14-5-4-6-15(14)11-16)22-17-12-18(13-17)23-9-2-1-3-10-23;/h7-8,11,17-18H,1-6,9-10,12-13H2,(H3,20,21,22);1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide?
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide has a molecular weight of 440.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(3-piperidin-1-ylcyclobutyl)guanidine;hydroiodide is sourced from PubChem (CID 120662989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).