1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine

C19H26N4O — CID 111150670

IUPAC1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
SMILESCCCCN/C(=N\C)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C19H26N4O/c1-3-4-11-22-19(20-2)23-14-17-10-12-21-18(13-17)24-15-16-8-6-5-7-9-16/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H2,20,22,23)
InChIKeyRQJOWLDFZYYKDM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.13
Rot. Bonds8

About 1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine

1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine (PubChem CID 111150670) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
PubChem CID111150670
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
SMILESCCCCN/C(=N\C)NCc1ccnc(OCc2ccccc2)c1
InChIInChI=1S/C19H26N4O/c1-3-4-11-22-19(20-2)23-14-17-10-12-21-18(13-17)24-15-16-8-6-5-7-9-16/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H2,20,22,23)
InChIKeyRQJOWLDFZYYKDM-UHFFFAOYSA-N
XLogP3.13
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111129253
2-methyl-1-pentyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111129252
2-methyl-1-(4-methylsulfanylbutyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111627151
2-methyl-1-(2-phenoxyethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111004601
tert-butyl N-[3-[[N'-methyl-N-[(2-phenylmethoxy-4-pyridinyl)methyl]carbamimidoyl]amino]propyl]carbamate
CID 111886873
1-[(4-fluorophenyl)methyl]-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111233262
2-methyl-1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(thiophen-3-ylmethyl)guanidine
CID 111940011
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111410493
1-(3-ethoxy-4-methylpentyl)-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111717584
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111202786
1-benzyl-3-[(2-ethoxy-4-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 110952173
2-methyl-1-[3-(2-methylbenzimidazol-1-yl)propyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111352528

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The IUPAC name of 1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine (CID 111150670) is 1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine is CCCCN/C(=N\C)NCc1ccnc(OCc2ccccc2)c1.
What is the InChIKey of 1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
The InChIKey is RQJOWLDFZYYKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-4-11-22-19(20-2)23-14-17-10-12-21-18(13-17)24-15-16-8-6-5-7-9-16/h5-10,12-13H,3-4,11,14-15H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine?
1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine has a molecular weight of 326.44 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111150670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).