1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide

C11H18IN3O — CID 110918899

IUPAC1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccco1)NCC1CCC1
InChIInChI=1S/C11H17N3O.HI/c12-11(13-7-9-3-1-4-9)14-8-10-5-2-6-15-10;/h2,5-6,9H,1,3-4,7-8H2,(H3,12,13,14);1H
InChIKeyWPKMHJXSYPWONJ-UHFFFAOYSA-N
MW335.19 g/mol
LogP2.10
Rot. Bonds4

About 1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide

1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide (PubChem CID 110918899) has the molecular formula C11H18IN3O and a molecular weight of 335.19 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
PubChem CID110918899
Molecular FormulaC11H18IN3O
Molecular Weight335.19 g/mol
Exact Mass335.05
IUPAC Name1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccco1)NCC1CCC1
InChIInChI=1S/C11H17N3O.HI/c12-11(13-7-9-3-1-4-9)14-8-10-5-2-6-15-10;/h2,5-6,9H,1,3-4,7-8H2,(H3,12,13,14);1H
InChIKeyWPKMHJXSYPWONJ-UHFFFAOYSA-N
XLogP2.10
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 52.10
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

2-(furan-2-ylmethyl)-1-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 75419046
2-(furan-2-ylmethyl)-1-propylguanidine
CID 62362161
1-(cyclobutylmethyl)-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 111051695
1-ethyl-2-(furan-2-ylmethyl)-3-[(4-methylcyclohexyl)methyl]guanidine;hydroiodide
CID 110937349
1-(cyclobutylmethyl)-2-[(4-fluorophenyl)methyl]guanidine
CID 111025727
1-(cyclobutylmethyl)-2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]guanidine
CID 111816816
1-(cyclobutylmethyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111038303
1-(cyclobutylmethyl)-2-[[2-(ethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111054224
2-(furan-2-ylmethyl)-1-octylguanidine
CID 111022361
2-(furan-2-ylmethyl)-1-hexylguanidine
CID 110914351
1-(cyclobutylmethyl)-2-[(4-phenylmethoxyphenyl)methyl]guanidine;hydroiodide
CID 111047621
1-ethyl-3-[(1-ethylpiperidin-3-yl)methyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110937505

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide (CID 110918899) is 1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide is I.N/C(=N\Cc1ccco1)NCC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is WPKMHJXSYPWONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.HI/c12-11(13-7-9-3-1-4-9)14-8-10-5-2-6-15-10;/h2,5-6,9H,1,3-4,7-8H2,(H3,12,13,14);1H.
What are the key properties of 1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide?
1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 335.19 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 110918899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).