2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine

C13H23N5 — CID 86780962

IUPAC2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine
SMILESCCNC(=NCc1cccc(N(C)C)n1)NCC
InChIInChI=1S/C13H23N5/c1-5-14-13(15-6-2)16-10-11-8-7-9-12(17-11)18(3)4/h7-9H,5-6,10H2,1-4H3,(H2,14,15,16)
InChIKeyXSYOGBWMDKBXNS-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.22
Rot. Bonds5

About 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine

2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine (PubChem CID 86780962) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine.

Molecular Properties

Compound Name2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine
PubChem CID86780962
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine
SMILESCCNC(=NCc1cccc(N(C)C)n1)NCC
InChIInChI=1S/C13H23N5/c1-5-14-13(15-6-2)16-10-11-8-7-9-12(17-11)18(3)4/h7-9H,5-6,10H2,1-4H3,(H2,14,15,16)
InChIKeyXSYOGBWMDKBXNS-UHFFFAOYSA-N
XLogP1.22
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
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-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109401245
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine
CID 109402595
1-butan-2-yl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine
CID 109400599
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 109406993
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(5-methylhexyl)guanidine
CID 109403760
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-ethylphenyl)methyl]guanidine
CID 109404111
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(5-methylhexyl)guanidine;hydroiodide
CID 109403759
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[2-(2-fluorophenyl)ethyl]guanidine
CID 109402737
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(2-thiophen-2-ylethyl)guanidine
CID 109402645
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-ethylguanidine
CID 91646274
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 109401890
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]guanidine
CID 109404037

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine?
The IUPAC name of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine (CID 86780962) is 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine.
What is the SMILES notation for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine?
The canonical SMILES for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine is CCNC(=NCc1cccc(N(C)C)n1)NCC.
What is the InChIKey of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine?
The InChIKey is XSYOGBWMDKBXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-5-14-13(15-6-2)16-10-11-8-7-9-12(17-11)18(3)4/h7-9H,5-6,10H2,1-4H3,(H2,14,15,16).
What are the key properties of 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine?
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine has a molecular weight of 249.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine is sourced from PubChem (CID 86780962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).