2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide

C17H24IN5 — CID 109394716

IUPAC2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/Cc2cccc(N(C)C)n2)cc1C.I
InChIInChI=1S/C17H23N5.HI/c1-12-8-9-14(10-13(12)2)21-17(18)19-11-15-6-5-7-16(20-15)22(3)4;/h5-10H,11H2,1-4H3,(H3,18,19,21);1H
InChIKeyXTBDAKZDQKJUBY-UHFFFAOYSA-N
MW425.32 g/mol
LogP3.31
Rot. Bonds4

About 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide

2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide (PubChem CID 109394716) has the molecular formula C17H24IN5 and a molecular weight of 425.32 g/mol. Its IUPAC name is 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
PubChem CID109394716
Molecular FormulaC17H24IN5
Molecular Weight425.32 g/mol
Exact Mass425.11
IUPAC Name2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/Cc2cccc(N(C)C)n2)cc1C.I
InChIInChI=1S/C17H23N5.HI/c1-12-8-9-14(10-13(12)2)21-17(18)19-11-15-6-5-7-16(20-15)22(3)4;/h5-10H,11H2,1-4H3,(H3,18,19,21);1H
InChIKeyXTBDAKZDQKJUBY-UHFFFAOYSA-N
XLogP3.31
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.32
LogP ≤ 53.31
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-(dimethylamino)-2-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 109394682
2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-(3,4-dimethylphenyl)guanidine
CID 111600829
1-(3,4-dimethylphenyl)-2-[[6-(trifluoromethyl)-2-pyridinyl]methyl]guanidine
CID 122097136
1-(3,4-dimethylphenyl)-2-[(2-methylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 119119933
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-octylguanidine;hydroiodide
CID 109394728
1-(3,4-dimethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045947
1-(3,4-dimethylphenyl)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111802553
1-(3,4-dimethylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111076132
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 109394754
1-(3,4-dimethylphenyl)-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111024356
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111025971
2-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111600820

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide (CID 109394716) is 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide is Cc1ccc(N/C(N)=N/Cc2cccc(N(C)C)n2)cc1C.I.
What is the InChIKey of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide?
The InChIKey is XTBDAKZDQKJUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5.HI/c1-12-8-9-14(10-13(12)2)21-17(18)19-11-15-6-5-7-16(20-15)22(3)4;/h5-10H,11H2,1-4H3,(H3,18,19,21);1H.
What are the key properties of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide?
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide has a molecular weight of 425.32 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 109394716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).