1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine

C19H26N4O2 — CID 109461840

IUPAC1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESC/N=C(\NCc1cccc(C)n1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C19H26N4O2/c1-15-7-4-9-17(22-15)14-21-19(20-2)23-16-8-5-10-18(13-16)25-12-6-11-24-3/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H2,20,21,23)
InChIKeyDRSKKKYBEXZYGB-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.99
Rot. Bonds8

About 1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine

1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 109461840) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
PubChem CID109461840
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
SMILESC/N=C(\NCc1cccc(C)n1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C19H26N4O2/c1-15-7-4-9-17(22-15)14-21-19(20-2)23-16-8-5-10-18(13-16)25-12-6-11-24-3/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H2,20,21,23)
InChIKeyDRSKKKYBEXZYGB-UHFFFAOYSA-N
XLogP2.99
TPSA67.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460324
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 109461076
1-[3-(3-methoxypropoxy)phenyl]-2,3-dimethylguanidine
CID 109462402
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(2,3,5,6-tetrafluorophenyl)methyl]guanidine;hydroiodide
CID 109460271
1-[[4-(methoxymethyl)phenyl]methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109461199
1-[(3-chlorophenyl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460424
1-[3-(4-methoxyphenoxy)propyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109462158
1-[(5-ethylthiophen-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109461157
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109461098
1-[(2-methoxyphenyl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109460797
1-[3-(3-methoxypropoxy)phenyl]-3-[(2-methoxy-4-pyridinyl)methyl]-2-methylguanidine
CID 109459978
1-[(3-methoxy-5-methylphenyl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109461373

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine (CID 109461840) is 1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine is C/N=C(\NCc1cccc(C)n1)Nc1cccc(OCCCOC)c1.
What is the InChIKey of 1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is DRSKKKYBEXZYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-15-7-4-9-17(22-15)14-21-19(20-2)23-16-8-5-10-18(13-16)25-12-6-11-24-3/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine?
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 342.44 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 109461840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).