1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine

C11H16N4O — CID 110916988

IUPAC1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
SMILESCOc1cccc(C/N=C(\N)NC2CC2)n1
InChIInChI=1S/C11H16N4O/c1-16-10-4-2-3-9(14-10)7-13-11(12)15-8-5-6-8/h2-4,8H,5-7H2,1H3,(H3,12,13,15)
InChIKeyWZBNQXUTJLUBED-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.66
Rot. Bonds4

About 1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine

1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine (PubChem CID 110916988) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
PubChem CID110916988
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
SMILESCOc1cccc(C/N=C(\N)NC2CC2)n1
InChIInChI=1S/C11H16N4O/c1-16-10-4-2-3-9(14-10)7-13-11(12)15-8-5-6-8/h2-4,8H,5-7H2,1H3,(H3,12,13,15)
InChIKeyWZBNQXUTJLUBED-UHFFFAOYSA-N
XLogP0.66
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.66
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

ethyl 4-[[N'-[(6-methoxy-2-pyridinyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111087819
2-[(6-methoxy-2-pyridinyl)methyl]-1-(2-methylpropyl)guanidine;hydroiodide
CID 111087779
1-(2,5-dimethoxyphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111087818
1-cyclopropyl-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
CID 110917611
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-(3-methylsulfanylcyclopentyl)guanidine;hydroiodide
CID 111529456
1-(4-butan-2-ylphenyl)-2-[(6-methoxy-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111087763
1-cyclopropyl-2-[(4-ethyl-2-pyridinyl)methyl]guanidine
CID 122082620
1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
CID 122082803
2-[(6-methoxy-2-pyridinyl)methyl]cycloheptan-1-ol
CID 79423934
1-cyclopropyl-2-[(3-methylphenyl)methyl]guanidine
CID 62361764
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
N-ethyl-N'-[(6-methoxy-2-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 110955578

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine (CID 110916988) is 1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine is COc1cccc(C/N=C(\N)NC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
The InChIKey is WZBNQXUTJLUBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-16-10-4-2-3-9(14-10)7-13-11(12)15-8-5-6-8/h2-4,8H,5-7H2,1H3,(H3,12,13,15).
What are the key properties of 1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine?
1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine has a molecular weight of 220.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 110916988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).