1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide

C13H20IN3 — CID 110029535

IUPAC1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
SMILESCc1ccccc1C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C13H19N3.HI/c1-10-5-3-4-6-11(10)9-15-13(14)16(2)12-7-8-12;/h3-6,12H,7-9H2,1-2H3,(H2,14,15);1H
InChIKeyHWJHZEUMKLQHQE-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.52
Rot. Bonds3

About 1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide

1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide (PubChem CID 110029535) has the molecular formula C13H20IN3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
PubChem CID110029535
Molecular FormulaC13H20IN3
Molecular Weight345.23 g/mol
Exact Mass345.07
IUPAC Name1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
SMILESCc1ccccc1C/N=C(\N)N(C)C1CC1.I
InChIInChI=1S/C13H19N3.HI/c1-10-5-3-4-6-11(10)9-15-13(14)16(2)12-7-8-12;/h3-6,12H,7-9H2,1-2H3,(H2,14,15);1H
InChIKeyHWJHZEUMKLQHQE-UHFFFAOYSA-N
XLogP2.52
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

1-cyclopropyl-2-[(2,4-dimethylphenyl)methyl]-1-methylguanidine;hydroiodide
CID 110029929
1-cyclopropyl-2-[[2-(methoxymethyl)phenyl]methyl]-1-methylguanidine;hydroiodide
CID 110029984
1-cyclopropyl-1-methyl-2-[[2-(propoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110030335
1-cyclopropyl-1-methyl-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 110029979
1-cyclopropyl-1-methyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 110030751
1-cyclopropyl-1-methyl-2-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110030146
1-cyclopropyl-1-methyl-2-(naphthalen-2-ylmethyl)guanidine;hydroiodide
CID 110029931
1-cyclopropyl-1-methyl-2-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]guanidine
CID 110029664
1-cyclopropyl-2-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-methylguanidine;hydroiodide
CID 110030126
1-cyclopropyl-2-[(2-imidazol-1-ylphenyl)methyl]-1-methylguanidine
CID 110030414
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
2-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-methylguanidine
CID 110029810

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide (CID 110029535) is 1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide is Cc1ccccc1C/N=C(\N)N(C)C1CC1.I.
What is the InChIKey of 1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide?
The InChIKey is HWJHZEUMKLQHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.HI/c1-10-5-3-4-6-11(10)9-15-13(14)16(2)12-7-8-12;/h3-6,12H,7-9H2,1-2H3,(H2,14,15);1H.
What are the key properties of 1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide?
1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide has a molecular weight of 345.23 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methyl-2-[(2-methylphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110029535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).