1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine

C18H24N4 — CID 110951910

IUPAC1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccnc1)N(C)Cc1ccccc1
InChIInChI=1S/C18H24N4/c1-3-20-18(21-13-11-16-10-7-12-19-14-16)22(2)15-17-8-5-4-6-9-17/h4-10,12,14H,3,11,13,15H2,1-2H3,(H,20,21)
InChIKeyWCXNMSATBBWPSJ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.72
Rot. Bonds6

About 1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine

1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine (PubChem CID 110951910) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine.

Molecular Properties

Compound Name1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine
PubChem CID110951910
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccnc1)N(C)Cc1ccccc1
InChIInChI=1S/C18H24N4/c1-3-20-18(21-13-11-16-10-7-12-19-14-16)22(2)15-17-8-5-4-6-9-17/h4-10,12,14H,3,11,13,15H2,1-2H3,(H,20,21)
InChIKeyWCXNMSATBBWPSJ-UHFFFAOYSA-N
XLogP2.72
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.72
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

1-[(4-ethoxyphenyl)methyl]-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine
CID 111275675
1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111297488
1-benzyl-3-ethyl-1-methyl-2-(2-methylsulfonylethyl)guanidine
CID 110950928
1-benzyl-2-(2-ethoxyethyl)-3-ethyl-1-methylguanidine;hydroiodide
CID 110951991
2-[2-(1H-benzimidazol-2-yl)ethyl]-1-benzyl-3-ethyl-1-methylguanidine;hydroiodide
CID 110951253
1-benzyl-3-ethyl-1-methyl-2-(3-methylsulfanylpropyl)guanidine;hydroiodide
CID 111492587
1-benzyl-3-ethyl-1-methyl-2-[3-(5-methyl-1H-pyrazol-4-yl)propyl]guanidine;hydroiodide
CID 110951907
3-ethyl-1-[(4-methoxyphenyl)methyl]-1-methyl-2-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402001
1-[(4-bromophenyl)methyl]-3-ethyl-1-methyl-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111292778
1-benzyl-3-ethyl-1-methyl-2-(3-methylsulfonylpropyl)guanidine;hydroiodide
CID 110951479
1-ethyl-3-(2-phenoxyethyl)-2-(2-pyridin-3-ylethyl)guanidine
CID 111006609
1-benzyl-2-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 110950565

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine?
The IUPAC name of 1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine (CID 110951910) is 1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine.
What is the SMILES notation for 1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine?
The canonical SMILES for 1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine is CCN/C(=N\CCc1cccnc1)N(C)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine?
The InChIKey is WCXNMSATBBWPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-20-18(21-13-11-16-10-7-12-19-14-16)22(2)15-17-8-5-4-6-9-17/h4-10,12,14H,3,11,13,15H2,1-2H3,(H,20,21).
What are the key properties of 1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine?
1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine has a molecular weight of 296.42 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-1-methyl-2-(2-pyridin-3-ylethyl)guanidine is sourced from PubChem (CID 110951910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).