1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine

C18H24N4 — CID 111802358

IUPAC1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESCCc1cccc(CC)c1N/C(N)=N/Cc1ncccc1C
InChIInChI=1S/C18H24N4/c1-4-14-9-6-10-15(5-2)17(14)22-18(19)21-12-16-13(3)8-7-11-20-16/h6-11H,4-5,12H2,1-3H3,(H3,19,21,22)
InChIKeySCPLWHOFCPLAGA-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.44
Rot. Bonds5

About 1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine

1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 111802358) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
PubChem CID111802358
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
SMILESCCc1cccc(CC)c1N/C(N)=N/Cc1ncccc1C
InChIInChI=1S/C18H24N4/c1-4-14-9-6-10-15(5-2)17(14)22-18(19)21-12-16-13(3)8-7-11-20-16/h6-11H,4-5,12H2,1-3H3,(H3,19,21,22)
InChIKeySCPLWHOFCPLAGA-UHFFFAOYSA-N
XLogP3.44
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine
CID 120580488
1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine
CID 122098664
1-ethyl-2-[(3-ethyl-2-pyridinyl)methyl]guanidine
CID 82739158
2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111802407
1-(2,6-diethylphenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111100716
2-[(3-methyl-2-pyridinyl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111802395
1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
1-(2,6-diethylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065272
1-(2,6-diethylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 120913671
1-(2,6-diethylphenyl)-2-(2-methyl-2-methylsulfonylpropyl)guanidine
CID 111752106
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111802423
1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide
CID 120603199

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine (CID 111802358) is 1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine is CCc1cccc(CC)c1N/C(N)=N/Cc1ncccc1C.
What is the InChIKey of 1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is SCPLWHOFCPLAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-4-14-9-6-10-15(5-2)17(14)22-18(19)21-12-16-13(3)8-7-11-20-16/h6-11H,4-5,12H2,1-3H3,(H3,19,21,22).
What are the key properties of 1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine?
1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 296.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 111802358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).