1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide

C19H28IN5O — CID 109401646

IUPAC1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1OC)NCc1cccc(N(C)C)n1.I
InChIInChI=1S/C19H27N5O.HI/c1-5-20-19(21-13-15-9-6-7-11-17(15)25-4)22-14-16-10-8-12-18(23-16)24(2)3;/h6-12H,5,13-14H2,1-4H3,(H2,20,21,22);1H
InChIKeyAQMOMCLDDZVCFJ-UHFFFAOYSA-N
MW469.37 g/mol
LogP3.03
Rot. Bonds7

About 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide (PubChem CID 109401646) has the molecular formula C19H28IN5O and a molecular weight of 469.37 g/mol. Its IUPAC name is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
PubChem CID109401646
Molecular FormulaC19H28IN5O
Molecular Weight469.37 g/mol
Exact Mass469.13
IUPAC Name1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1OC)NCc1cccc(N(C)C)n1.I
InChIInChI=1S/C19H27N5O.HI/c1-5-20-19(21-13-15-9-6-7-11-17(15)25-4)22-14-16-10-8-12-18(23-16)24(2)3;/h6-12H,5,13-14H2,1-4H3,(H2,20,21,22);1H
InChIKeyAQMOMCLDDZVCFJ-UHFFFAOYSA-N
XLogP3.03
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-ethylphenyl)methyl]guanidine
CID 109404111
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
CID 109403743
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 109401433
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 109407085
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111216534
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine
CID 86780962
1-ethyl-3-[[2-(methoxymethyl)phenyl]methyl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 111215389
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111215544
1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111847837
1-[(2-chlorophenyl)methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111175116
1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111359938
1-ethyl-2-[(2-methoxyphenyl)methyl]-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine
CID 111836327

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide (CID 109401646) is 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccccc1OC)NCc1cccc(N(C)C)n1.I.
What is the InChIKey of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
The InChIKey is AQMOMCLDDZVCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.HI/c1-5-20-19(21-13-15-9-6-7-11-17(15)25-4)22-14-16-10-8-12-18(23-16)24(2)3;/h6-12H,5,13-14H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide?
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide has a molecular weight of 469.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 109401646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).