2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide

C13H16IN3O — CID 110884528

IUPAC2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
SMILESCOc1ccc2cc(CN=C(N)N)ccc2c1.I
InChIInChI=1S/C13H15N3O.HI/c1-17-12-5-4-10-6-9(8-16-13(14)15)2-3-11(10)7-12;/h2-7H,8H2,1H3,(H4,14,15,16);1H
InChIKeyKJKAGFFREWYYKW-UHFFFAOYSA-N
MW357.20 g/mol
LogP2.24
Rot. Bonds3

About 2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide

2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide (PubChem CID 110884528) has the molecular formula C13H16IN3O and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
PubChem CID110884528
Molecular FormulaC13H16IN3O
Molecular Weight357.20 g/mol
Exact Mass357.03
IUPAC Name2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
SMILESCOc1ccc2cc(CN=C(N)N)ccc2c1.I
InChIInChI=1S/C13H15N3O.HI/c1-17-12-5-4-10-6-9(8-16-13(14)15)2-3-11(10)7-12;/h2-7H,8H2,1H3,(H4,14,15,16);1H
InChIKeyKJKAGFFREWYYKW-UHFFFAOYSA-N
XLogP2.24
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.24
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-cyclopropyl-2-[(6-methoxynaphthalen-2-yl)methyl]-1-methylguanidine;hydroiodide
CID 110029683
1-[(3,4-dimethoxyphenyl)methyl]-2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide
CID 111039094
2-[(6-methoxynaphthalen-2-yl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111039050
2-[6-[(diaminomethylideneamino)methyl]naphthalen-2-yl]oxyethyl thiohypofluorite
CID 138502735
bis(2-[(3-methoxyphenyl)methyl]guanidine);sulfuric acid
CID 43810780
2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydrochloride
CID 155435073
dihydroxy(oxo)azanium;2-(naphthalen-2-ylmethyl)guanidine
CID 6331948
2-[(6-methoxynaphthalen-2-yl)methyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111039079
2-[(3-ethoxy-4-methoxyphenyl)methyl]guanidine
CID 95911334
(6-methoxynaphthalen-2-yl)methanethiol
CID 79884829
1-(cyclopropylmethyl)-3-ethyl-2-[(6-methoxynaphthalen-2-yl)methyl]guanidine
CID 111870192
N'-[(4-methoxyphenyl)methyl]prop-2-enimidamide
CID 166085735

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide (CID 110884528) is 2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide is COc1ccc2cc(CN=C(N)N)ccc2c1.I.
What is the InChIKey of 2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide?
The InChIKey is KJKAGFFREWYYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O.HI/c1-17-12-5-4-10-6-9(8-16-13(14)15)2-3-11(10)7-12;/h2-7H,8H2,1H3,(H4,14,15,16);1H.
What are the key properties of 2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide?
2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 357.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxynaphthalen-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110884528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).