1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide

C13H20IN3 — CID 111422983

IUPAC1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCc1ccc(CC/N=C(\N)NC2CC2)cc1.I
InChIInChI=1S/C13H19N3.HI/c1-10-2-4-11(5-3-10)8-9-15-13(14)16-12-6-7-12;/h2-5,12H,6-9H2,1H3,(H3,14,15,16);1H
InChIKeyVOUCBGIYZCNDBS-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.22
Rot. Bonds4

About 1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide

1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide (PubChem CID 111422983) has the molecular formula C13H20IN3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
PubChem CID111422983
Molecular FormulaC13H20IN3
Molecular Weight345.23 g/mol
Exact Mass345.07
IUPAC Name1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide
SMILESCc1ccc(CC/N=C(\N)NC2CC2)cc1.I
InChIInChI=1S/C13H19N3.HI/c1-10-2-4-11(5-3-10)8-9-15-13(14)16-12-6-7-12;/h2-5,12H,6-9H2,1H3,(H3,14,15,16);1H
InChIKeyVOUCBGIYZCNDBS-UHFFFAOYSA-N
XLogP2.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.22
H-Bond Donors ≤ 52
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-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 75418892
ethyl 4-[[N'-[2-(4-methylphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111814089
1-cyclopentyl-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 55063965
1-cyclohexyl-2-(2-phenylethyl)guanidine
CID 62364481
ethyl 4-[[N'-[2-(4-fluorophenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111025544
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
1-cyclopropyl-2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110926110
2-[4-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]phenoxy]-N-cyclopropylacetamide;hydroiodide
CID 111075242
1-cyclopentyl-2-[2-(2-methylphenyl)ethyl]guanidine
CID 78989923
ethyl 4-[[N'-[2-(4-phenylmethoxyphenyl)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111072174
1-cyclohexyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111043745
1-cyclopentyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]guanidine;hydroiodide
CID 119147599

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide (CID 111422983) is 1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide is Cc1ccc(CC/N=C(\N)NC2CC2)cc1.I.
What is the InChIKey of 1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide?
The InChIKey is VOUCBGIYZCNDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.HI/c1-10-2-4-11(5-3-10)8-9-15-13(14)16-12-6-7-12;/h2-5,12H,6-9H2,1H3,(H3,14,15,16);1H.
What are the key properties of 1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide?
1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide has a molecular weight of 345.23 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(4-methylphenyl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111422983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).