2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine

C13H23N5 — CID 111055975

IUPAC2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCc1cccnc1N(C)C)N(C)C
InChIInChI=1S/C13H23N5/c1-16(2)12-11(8-7-9-14-12)10-15-13(17(3)4)18(5)6/h7-9H,10H2,1-6H3
InChIKeyARQKZFNLINMJSE-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.13
Rot. Bonds3

About 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine

2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 111055975) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine
PubChem CID111055975
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCc1cccnc1N(C)C)N(C)C
InChIInChI=1S/C13H23N5/c1-16(2)12-11(8-7-9-14-12)10-15-13(17(3)4)18(5)6/h7-9H,10H2,1-6H3
InChIKeyARQKZFNLINMJSE-UHFFFAOYSA-N
XLogP1.13
TPSA34.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1,1,3,3-tetramethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111802438
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111055962
1-benzyl-2-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 110950565
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(5-methylhexan-2-yl)guanidine
CID 111203378
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(2-methoxy-2-methylpropyl)guanidine
CID 111606211
1-(4-butan-2-ylphenyl)-2-[[2-(dimethylamino)-3-pyridinyl]methyl]guanidine
CID 111055937
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948137
N'-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205477
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255720
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111055971
2-[2-(dimethylamino)-3-pyridinyl]ethanimidamide
CID 83875000
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109429417

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine (CID 111055975) is 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine is CN(C)C(=NCc1cccnc1N(C)C)N(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is ARQKZFNLINMJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-16(2)12-11(8-7-9-14-12)10-15-13(17(3)4)18(5)6/h7-9H,10H2,1-6H3.
What are the key properties of 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine?
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 249.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111055975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).