1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine

C15H24N4 — CID 122096466

IUPAC1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
SMILESCc1ccnc(C/N=C(\N)NC2CCCCCC2)c1
InChIInChI=1S/C15H24N4/c1-12-8-9-17-14(10-12)11-18-15(16)19-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H3,16,18,19)
InChIKeyWIHZLHPFXLBCAF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds3

About 1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine

1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine (PubChem CID 122096466) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine.

Molecular Properties

Compound Name1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
PubChem CID122096466
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
SMILESCc1ccnc(C/N=C(\N)NC2CCCCCC2)c1
InChIInChI=1S/C15H24N4/c1-12-8-9-17-14(10-12)11-18-15(16)19-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H3,16,18,19)
InChIKeyWIHZLHPFXLBCAF-UHFFFAOYSA-N
XLogP2.52
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(4-ethyl-2-pyridinyl)methyl]guanidine
CID 122082620
1-cyclohexyl-2-[(2,6-dimethylpyrimidin-4-yl)methyl]guanidine
CID 120913740
1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine
CID 122082759
1-cyclopropyl-1-methyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096467
1-cyclohexyl-2-[(5-fluoro-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119164307
1-cyclopentyl-2-[2-(3-methylphenoxy)ethyl]guanidine
CID 62369394
1-cyclohexyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120615
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
CID 119121177
1-cyclopropyl-2-[(3-methylphenyl)methyl]guanidine
CID 62361764
1-cyclohexyl-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111041376
1-cyclohexyl-2-(2H-tetrazol-5-ylmethyl)guanidine
CID 19866588
1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 62525249

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine?
The IUPAC name of 1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine (CID 122096466) is 1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine.
What is the SMILES notation for 1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine?
The canonical SMILES for 1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine is Cc1ccnc(C/N=C(\N)NC2CCCCCC2)c1.
What is the InChIKey of 1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine?
The InChIKey is WIHZLHPFXLBCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-12-8-9-17-14(10-12)11-18-15(16)19-13-6-4-2-3-5-7-13/h8-10,13H,2-7,11H2,1H3,(H3,16,18,19).
What are the key properties of 1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine?
1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine has a molecular weight of 260.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine is sourced from PubChem (CID 122096466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).