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

C15H20IN3O — CID 110948927

IUPAC1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccco1)NC(C)c1ccccc1.I
InChIInChI=1S/C15H19N3O.HI/c1-12(13-7-4-3-5-8-13)18-15(16-2)17-11-14-9-6-10-19-14;/h3-10,12H,11H2,1-2H3,(H2,16,17,18);1H
InChIKeyUXBHKGWOFPHIJQ-UHFFFAOYSA-N
MW385.25 g/mol
LogP3.32
Rot. Bonds4

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

1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (PubChem CID 110948927) has the molecular formula C15H20IN3O and a molecular weight of 385.25 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
PubChem CID110948927
Molecular FormulaC15H20IN3O
Molecular Weight385.25 g/mol
Exact Mass385.07
IUPAC Name1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccco1)NC(C)c1ccccc1.I
InChIInChI=1S/C15H19N3O.HI/c1-12(13-7-4-3-5-8-13)18-15(16-2)17-11-14-9-6-10-19-14;/h3-10,12H,11H2,1-2H3,(H2,16,17,18);1H
InChIKeyUXBHKGWOFPHIJQ-UHFFFAOYSA-N
XLogP3.32
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 53.32
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-ylmethylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111491389
1-benzyl-2-methyl-3-[(1S)-1-phenylethyl]guanidine
CID 95761097
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N-(furan-2-ylmethyl)-2-[[N'-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111298670
1-(1-benzofuran-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 75532587
1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine
CID 111173565
1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111235087
1-ethyl-2-methyl-3-(1-phenylethyl)guanidine
CID 110948658
1-(furan-2-ylmethyl)-2-methyl-3-octan-2-ylguanidine
CID 111212393
1-[5-(diethylamino)pentan-2-yl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 110998865
1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine
CID 111179316
1-[(4-fluorophenyl)methyl]-2-methyl-3-(1-phenylethyl)guanidine
CID 110949028

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide (CID 110948927) is 1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide is C/N=C(\NCc1ccco1)NC(C)c1ccccc1.I.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
The InChIKey is UXBHKGWOFPHIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O.HI/c1-12(13-7-4-3-5-8-13)18-15(16-2)17-11-14-9-6-10-19-14;/h3-10,12H,11H2,1-2H3,(H2,16,17,18);1H.
What are the key properties of 1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide?
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide has a molecular weight of 385.25 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide is sourced from PubChem (CID 110948927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).