1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide

C19H27IN4O — CID 111621969

IUPAC1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
SMILESC/N=C(/NCc1cccc(OC)n1)NCC(C)c1ccc(C)cc1.I
InChIInChI=1S/C19H26N4O.HI/c1-14-8-10-16(11-9-14)15(2)12-21-19(20-3)22-13-17-6-5-7-18(23-17)24-4;/h5-11,15H,12-13H2,1-4H3,(H2,20,21,22);1H
InChIKeyQTDQOKGKJCKFHE-UHFFFAOYSA-N
MW454.36 g/mol
LogP3.49
Rot. Bonds6

About 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide

1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide (PubChem CID 111621969) has the molecular formula C19H27IN4O and a molecular weight of 454.36 g/mol. Its IUPAC name is 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
PubChem CID111621969
Molecular FormulaC19H27IN4O
Molecular Weight454.36 g/mol
Exact Mass454.12
IUPAC Name1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
SMILESC/N=C(/NCc1cccc(OC)n1)NCC(C)c1ccc(C)cc1.I
InChIInChI=1S/C19H26N4O.HI/c1-14-8-10-16(11-9-14)15(2)12-21-19(20-3)22-13-17-6-5-7-18(23-17)24-4;/h5-11,15H,12-13H2,1-4H3,(H2,20,21,22);1H
InChIKeyQTDQOKGKJCKFHE-UHFFFAOYSA-N
XLogP3.49
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 53.49
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

1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine;hydroiodide
CID 111659269
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(3-methylphenyl)propyl]guanidine
CID 111659270
2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111621915
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703438
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111227678
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360710
1-[(6-methoxy-2-pyridinyl)methyl]-2,3-dimethylguanidine
CID 110916980
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345994
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111232770
2-methyl-1-[2-(4-methylphenyl)propyl]-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111622004
1-tert-butyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 110965149
1-[2-(2-methoxy-5-methylphenyl)ethyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine
CID 111389574

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The IUPAC name of 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide (CID 111621969) is 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide is C/N=C(/NCc1cccc(OC)n1)NCC(C)c1ccc(C)cc1.I.
What is the InChIKey of 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
The InChIKey is QTDQOKGKJCKFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.HI/c1-14-8-10-16(11-9-14)15(2)12-21-19(20-3)22-13-17-6-5-7-18(23-17)24-4;/h5-11,15H,12-13H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide?
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide has a molecular weight of 454.36 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111621969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).