1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine

C19H26N4 — CID 122098664

IUPAC1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine
SMILESCCc1cccc(CC)c1N/C(N)=N/Cc1ccc(C)c(C)n1
InChIInChI=1S/C19H26N4/c1-5-15-8-7-9-16(6-2)18(15)23-19(20)21-12-17-11-10-13(3)14(4)22-17/h7-11H,5-6,12H2,1-4H3,(H3,20,21,23)
InChIKeyIOLGGYZCGMNJKG-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.75
Rot. Bonds5

About 1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine

1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine (PubChem CID 122098664) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine
PubChem CID122098664
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine
SMILESCCc1cccc(CC)c1N/C(N)=N/Cc1ccc(C)c(C)n1
InChIInChI=1S/C19H26N4/c1-5-15-8-7-9-16(6-2)18(15)23-19(20)21-12-17-11-10-13(3)14(4)22-17/h7-11H,5-6,12H2,1-4H3,(H3,20,21,23)
InChIKeyIOLGGYZCGMNJKG-UHFFFAOYSA-N
XLogP3.75
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.75
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-[(2-ethyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111806909
1-(2,6-diethylphenyl)-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine;hydroiodide
CID 120913671
1-(2,6-diethylphenyl)-2-(pyridazin-3-ylmethyl)guanidine
CID 120580488
1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111802358
1-(2,6-diethylphenyl)-2-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 111601392
1-(2,6-diethylphenyl)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine;hydroiodide
CID 111100716
methyl 6-[[[amino-(2,6-diethylanilino)methylidene]amino]methyl]-2-cyclopropylpyridine-3-carboxylate
CID 110018061
1-(2,6-diethylphenyl)-2-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]guanidine
CID 111816730
1-(2,6-diethylphenyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111065272
1-(2,6-diethylphenyl)-2-[(2-methyltetrazol-5-yl)methyl]guanidine;hydroiodide
CID 120603199
1-(2,6-diethylphenyl)-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 111022365
1-(2,6-diethylphenyl)-2-[[2-(methoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111053928

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine (CID 122098664) is 1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine is CCc1cccc(CC)c1N/C(N)=N/Cc1ccc(C)c(C)n1.
What is the InChIKey of 1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine?
The InChIKey is IOLGGYZCGMNJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-5-15-8-7-9-16(6-2)18(15)23-19(20)21-12-17-11-10-13(3)14(4)22-17/h7-11H,5-6,12H2,1-4H3,(H3,20,21,23).
What are the key properties of 1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine?
1-(2,6-diethylphenyl)-2-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine has a molecular weight of 310.44 g/mol, XLogP of 3.75, 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-[(5,6-dimethyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 122098664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).