2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine

C18H24N4 — CID 111802496

IUPAC2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
SMILESCc1ccc(CCN/C(=N/Cc2ccccc2)N(C)C)cn1
InChIInChI=1S/C18H24N4/c1-15-9-10-17(13-20-15)11-12-19-18(22(2)3)21-14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,19,21)
InChIKeyURTLNQKFAVOGQS-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.64
Rot. Bonds5

About 2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine

2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine (PubChem CID 111802496) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine.

Molecular Properties

Compound Name2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
PubChem CID111802496
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine
SMILESCc1ccc(CCN/C(=N/Cc2ccccc2)N(C)C)cn1
InChIInChI=1S/C18H24N4/c1-15-9-10-17(13-20-15)11-12-19-18(22(2)3)21-14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,19,21)
InChIKeyURTLNQKFAVOGQS-UHFFFAOYSA-N
XLogP2.64
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
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

2-benzyl-1,1-dimethyl-3-(2-phenylethyl)guanidine
CID 111022931
2-benzyl-1,1-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111066939
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(2-phenylethyl)guanidine
CID 111834921
2-benzyl-1,1-dimethyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111024333
2-benzyl-1,1-dimethyl-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111802890
2-benzyl-3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1,1-dimethylguanidine
CID 111806680
3-[2-(1,3-benzodioxol-5-yl)ethyl]-2-benzyl-1,1-dimethylguanidine;hydroiodide
CID 111034192
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-phenylethyl)guanidine
CID 111834891
2-benzyl-1,1-dimethyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine;hydroiodide
CID 111806220
3-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]-N,N-dimethylpropanamide
CID 111068269
2-benzyl-3-[2-(2-methoxyphenyl)ethyl]-1,1-dimethylguanidine;hydroiodide
CID 111030115
2-benzyl-1,1-dimethyl-3-(3-methylsulfanylpropyl)guanidine
CID 111492828

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine?
The IUPAC name of 2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine (CID 111802496) is 2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine.
What is the SMILES notation for 2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine?
The canonical SMILES for 2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine is Cc1ccc(CCN/C(=N/Cc2ccccc2)N(C)C)cn1.
What is the InChIKey of 2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine?
The InChIKey is URTLNQKFAVOGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-15-9-10-17(13-20-15)11-12-19-18(22(2)3)21-14-16-7-5-4-6-8-16/h4-10,13H,11-12,14H2,1-3H3,(H,19,21).
What are the key properties of 2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine?
2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine has a molecular weight of 296.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,1-dimethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]guanidine is sourced from PubChem (CID 111802496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).