1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide

C13H19IN4O — CID 111975016

IUPAC1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCn1cccc1)NCc1ccco1.I
InChIInChI=1S/C13H18N4O.HI/c1-14-13(16-11-12-5-4-10-18-12)15-6-9-17-7-2-3-8-17;/h2-5,7-8,10H,6,9,11H2,1H3,(H2,14,15,16);1H
InChIKeyHUOJBUUPUGTMEK-UHFFFAOYSA-N
MW374.23 g/mol
LogP2.06
Rot. Bonds5

About 1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide

1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide (PubChem CID 111975016) has the molecular formula C13H19IN4O and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide
PubChem CID111975016
Molecular FormulaC13H19IN4O
Molecular Weight374.23 g/mol
Exact Mass374.06
IUPAC Name1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCCn1cccc1)NCc1ccco1.I
InChIInChI=1S/C13H18N4O.HI/c1-14-13(16-11-12-5-4-10-18-12)15-6-9-17-7-2-3-8-17;/h2-5,7-8,10H,6,9,11H2,1H3,(H2,14,15,16);1H
InChIKeyHUOJBUUPUGTMEK-UHFFFAOYSA-N
XLogP2.06
TPSA54.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 52.06
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-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide
CID 119114637
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1-(furan-2-ylmethyl)-3-[2-(2-hydroxyethoxy)ethyl]-2-methylguanidine
CID 110934675
1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
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3-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N-propylpropanamide
CID 110934465
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 56801277
1-(furan-2-ylmethyl)-2-methyl-3-[(2,3,5,6-tetrafluorophenyl)methyl]guanidine;hydroiodide
CID 86778612
2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
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1-(furan-2-ylmethyl)-2-methyl-3-[(3S)-3-piperidin-1-ylbutyl]guanidine
CID 99820341
1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 120662345
1-(furan-2-ylmethyl)-2-methyl-3-(pyridazin-3-ylmethyl)guanidine;hydroiodide
CID 120580517
1-(furan-2-ylmethyl)-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide (CID 111975016) is 1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide is C/N=C(\NCCn1cccc1)NCc1ccco1.I.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide?
The InChIKey is HUOJBUUPUGTMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O.HI/c1-14-13(16-11-12-5-4-10-18-12)15-6-9-17-7-2-3-8-17;/h2-5,7-8,10H,6,9,11H2,1H3,(H2,14,15,16);1H.
What are the key properties of 1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide?
1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide has a molecular weight of 374.23 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111975016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).