1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide

C18H25IN4O — CID 111087763

IUPAC1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCC(C)c1ccc(N/C(N)=N/Cc2cccc(OC)n2)cc1.I
InChIInChI=1S/C18H24N4O.HI/c1-4-13(2)14-8-10-15(11-9-14)22-18(19)20-12-16-6-5-7-17(21-16)23-3;/h5-11,13H,4,12H2,1-3H3,(H3,19,20,22);1H
InChIKeyRKTCNYVLNAZIMX-UHFFFAOYSA-N
MW440.33 g/mol
LogP4.15
Rot. Bonds6

About 1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide

1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111087763) has the molecular formula C18H25IN4O and a molecular weight of 440.33 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111087763
Molecular FormulaC18H25IN4O
Molecular Weight440.33 g/mol
Exact Mass440.11
IUPAC Name1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCC(C)c1ccc(N/C(N)=N/Cc2cccc(OC)n2)cc1.I
InChIInChI=1S/C18H24N4O.HI/c1-4-13(2)14-8-10-15(11-9-14)22-18(19)20-12-16-6-5-7-17(21-16)23-3;/h5-11,13H,4,12H2,1-3H3,(H3,19,20,22);1H
InChIKeyRKTCNYVLNAZIMX-UHFFFAOYSA-N
XLogP4.15
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 54.15
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

2-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111087779
1-(4-butan-2-ylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 120913691
1-(4-butan-2-ylphenyl)-2-ethylguanidine
CID 111023947
1-(4-butan-2-ylphenyl)-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111023000
1-(4-butan-2-ylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111065253
1-(4-butan-2-ylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide
CID 120603191
1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110916988
1-(4-butan-2-ylphenyl)-2-(5-methoxypentyl)guanidine;hydroiodide
CID 111087548
1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111087818
1-(4-butan-2-ylphenyl)-2-prop-2-ynylguanidine;hydroiodide
CID 111031547
N-[5-[[[amino-(4-butan-2-ylanilino)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 111094511
1-(4-butan-2-ylphenyl)-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)guanidine
CID 119121251

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide (CID 111087763) is 1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide is CCC(C)c1ccc(N/C(N)=N/Cc2cccc(OC)n2)cc1.I.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is RKTCNYVLNAZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.HI/c1-4-13(2)14-8-10-15(11-9-14)22-18(19)20-12-16-6-5-7-17(21-16)23-3;/h5-11,13H,4,12H2,1-3H3,(H3,19,20,22);1H.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide?
1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 440.33 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111087763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).