2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide

C19H25IN4 — CID 120605953

IUPAC2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCc1ccc(C2(C/N=C(\N)Nc3ccccn3)CCC2)cc1C.I
InChIInChI=1S/C19H24N4.HI/c1-14-7-8-16(12-15(14)2)19(9-5-10-19)13-22-18(20)23-17-6-3-4-11-21-17;/h3-4,6-8,11-12H,5,9-10,13H2,1-2H3,(H3,20,21,22,23);1H
InChIKeyNWQXGMYKPBILKX-UHFFFAOYSA-N
MW436.34 g/mol
LogP4.16
Rot. Bonds4

About 2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 120605953) has the molecular formula C19H25IN4 and a molecular weight of 436.34 g/mol. Its IUPAC name is 2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID120605953
Molecular FormulaC19H25IN4
Molecular Weight436.34 g/mol
Exact Mass436.11
IUPAC Name2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESCc1ccc(C2(C/N=C(\N)Nc3ccccn3)CCC2)cc1C.I
InChIInChI=1S/C19H24N4.HI/c1-14-7-8-16(12-15(14)2)19(9-5-10-19)13-22-18(20)23-17-6-3-4-11-21-17;/h3-4,6-8,11-12H,5,9-10,13H2,1-2H3,(H3,20,21,22,23);1H
InChIKeyNWQXGMYKPBILKX-UHFFFAOYSA-N
XLogP4.16
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 54.16
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119934704
1-pyridin-2-yl-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine;hydroiodide
CID 119148354
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine
CID 120581767
2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119120271
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
2-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119149339
2-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111580915
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132
2-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111097266
1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 119147612

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 120605953) is 2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide is Cc1ccc(C2(C/N=C(\N)Nc3ccccn3)CCC2)cc1C.I.
What is the InChIKey of 2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is NWQXGMYKPBILKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4.HI/c1-14-7-8-16(12-15(14)2)19(9-5-10-19)13-22-18(20)23-17-6-3-4-11-21-17;/h3-4,6-8,11-12H,5,9-10,13H2,1-2H3,(H3,20,21,22,23);1H.
What are the key properties of 2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 436.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 120605953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).