2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine

C12H20N4O — CID 111038740

IUPAC2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine
SMILESCOc1ccc(CN=C(N(C)C)N(C)C)cn1
InChIInChI=1S/C12H20N4O/c1-15(2)12(16(3)4)14-9-10-6-7-11(17-5)13-8-10/h6-8H,9H2,1-5H3
InChIKeyQFHBDGXFRKLDGJ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.07
Rot. Bonds3

About 2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine

2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine (PubChem CID 111038740) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine
PubChem CID111038740
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine
SMILESCOc1ccc(CN=C(N(C)C)N(C)C)cn1
InChIInChI=1S/C12H20N4O/c1-15(2)12(16(3)4)14-9-10-6-7-11(17-5)13-8-10/h6-8H,9H2,1-5H3
InChIKeyQFHBDGXFRKLDGJ-UHFFFAOYSA-N
XLogP1.07
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.07
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'}

Analyze 2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111061060
N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide
CID 55160748
5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide
CID 119152311
2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 62989669
2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110924455
2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111038772
2-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111049216
1-(1-methoxypropan-2-yl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111038786
1-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125780
3-ethyl-1-[(2-methoxyphenyl)methyl]-2-[(6-methoxy-3-pyridinyl)methyl]-1-methylguanidine
CID 111281517
2-[(6-methoxy-3-pyridinyl)methyl]-1-octylguanidine
CID 111038712
1-cyclopropyl-3-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 110989321

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine (CID 111038740) is 2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine is COc1ccc(CN=C(N(C)C)N(C)C)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine?
The InChIKey is QFHBDGXFRKLDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(2)12(16(3)4)14-9-10-6-7-11(17-5)13-8-10/h6-8H,9H2,1-5H3.
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine?
2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine has a molecular weight of 236.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 111038740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).