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

C15H24N4O — CID 122098192

IUPAC1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine
SMILESCOc1cccnc1C/N=C(\N)NC1CCCCCC1
InChIInChI=1S/C15H24N4O/c1-20-14-9-6-10-17-13(14)11-18-15(16)19-12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H3,16,18,19)
InChIKeyIDYWUYUBKSBUJC-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.22
Rot. Bonds4

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

1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine (PubChem CID 122098192) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine
PubChem CID122098192
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine
SMILESCOc1cccnc1C/N=C(\N)NC1CCCCCC1
InChIInChI=1S/C15H24N4O/c1-20-14-9-6-10-17-13(14)11-18-15(16)19-12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H3,16,18,19)
InChIKeyIDYWUYUBKSBUJC-UHFFFAOYSA-N
XLogP2.22
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.22
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-cyclopropyl-2-[(3-methylsulfonyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 120603117
2-[(4-chloro-2-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111806809
2-[(3-bromo-4-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111095617
1-cyclohexyl-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111050353
1-cyclopropyl-2-[(4-methoxy-3-pyridinyl)methyl]guanidine
CID 122082803
1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096466
1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164307
2-[(5-chloro-6-methoxy-3-pyridinyl)methyl]-1-cyclohexylguanidine
CID 122097406
1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111039863
1-cyclohexyl-2-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119146702
1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine
CID 19866588
1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine
CID 120603148

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine (CID 122098192) is 1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine is COc1cccnc1C/N=C(\N)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine?
The InChIKey is IDYWUYUBKSBUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-20-14-9-6-10-17-13(14)11-18-15(16)19-12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H3,16,18,19).
What are the key properties of 1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine?
1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine has a molecular weight of 276.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-[(3-methoxy-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 122098192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).