1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine

C11H16N4O — CID 122082803

IUPAC1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
SMILESCOc1ccncc1C/N=C(\N)NC1CC1
InChIInChI=1S/C11H16N4O/c1-16-10-4-5-13-6-8(10)7-14-11(12)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H3,12,14,15)
InChIKeyXWERWOAJLUFHSB-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.66
Rot. Bonds4

About 1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine

1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine (PubChem CID 122082803) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
PubChem CID122082803
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
SMILESCOc1ccncc1C/N=C(\N)NC1CC1
InChIInChI=1S/C11H16N4O/c1-16-10-4-5-13-6-8(10)7-14-11(12)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H3,12,14,15)
InChIKeyXWERWOAJLUFHSB-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

1-cyclopropyl-2-[(3-methyl-4-pyridinyl)methyl]guanidine
CID 114700716
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
1-cyclopropyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine
CID 111335932
1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine
CID 122098192
2-[(4-chloro-2-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111806809
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
1-cyclopropyl-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 110916988
1-cyclopropyl-2-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine
CID 110916048
1-[3-(2-fluorophenyl)cyclobutyl]-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 120671597
1-cyclopentyl-2-[(5-methyl-1H-pyrazol-4-yl)methyl]guanidine
CID 62369717
1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
CID 111751900
3-(iodomethyl)-4-methoxypyridine
CID 130559780

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine?
The IUPAC name of 1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine (CID 122082803) is 1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine is COc1ccncc1C/N=C(\N)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine?
The InChIKey is XWERWOAJLUFHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-16-10-4-5-13-6-8(10)7-14-11(12)15-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H3,12,14,15).
What are the key properties of 1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine?
1-cyclopropyl-2-[(4-methoxy-3-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-[(4-methoxy-3-pyridinyl)methyl]guanidine is sourced from PubChem (CID 122082803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).