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

C20H30IN5 — CID 109407085

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C)cc1C)NCc1cccc(N(C)C)n1.I
InChIInChI=1S/C20H29N5.HI/c1-6-21-20(22-13-17-11-10-15(2)12-16(17)3)23-14-18-8-7-9-19(24-18)25(4)5;/h7-12H,6,13-14H2,1-5H3,(H2,21,22,23);1H
InChIKeyYNASUNTWNPZISE-UHFFFAOYSA-N
MW467.40 g/mol
LogP3.64
Rot. Bonds6

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

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide (PubChem CID 109407085) has the molecular formula C20H30IN5 and a molecular weight of 467.40 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide
PubChem CID109407085
Molecular FormulaC20H30IN5
Molecular Weight467.40 g/mol
Exact Mass467.15
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccc(C)cc1C)NCc1cccc(N(C)C)n1.I
InChIInChI=1S/C20H29N5.HI/c1-6-21-20(22-13-17-11-10-15(2)12-16(17)3)23-14-18-8-7-9-19(24-18)25(4)5;/h7-12H,6,13-14H2,1-5H3,(H2,21,22,23);1H
InChIKeyYNASUNTWNPZISE-UHFFFAOYSA-N
XLogP3.64
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.40
LogP ≤ 53.64
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-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111938287
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-ethylphenyl)methyl]guanidine
CID 109404111
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967811
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 109401646
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine
CID 86780962
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine
CID 91646274
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 109401433
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 109403743
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-propylguanidine;hydroiodide
CID 111225204
1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359938
1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109401245
1-ethyl-2-[(4-methylphenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111244928

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide (CID 109407085) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\Cc1ccc(C)cc1C)NCc1cccc(N(C)C)n1.I.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide?
The InChIKey is YNASUNTWNPZISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5.HI/c1-6-21-20(22-13-17-11-10-15(2)12-16(17)3)23-14-18-8-7-9-19(24-18)25(4)5;/h7-12H,6,13-14H2,1-5H3,(H2,21,22,23);1H.
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide has a molecular weight of 467.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 109407085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).