2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide

C13H20IN3 — CID 110914388

IUPAC2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C13H19N3.HI/c14-12(15)16-10-13(8-4-5-9-13)11-6-2-1-3-7-11;/h1-3,6-7H,4-5,8-10H2,(H4,14,15,16);1H
InChIKeyVXDMEBVSKNXKCB-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.39
Rot. Bonds3

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

2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide (PubChem CID 110914388) has the molecular formula C13H20IN3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
PubChem CID110914388
Molecular FormulaC13H20IN3
Molecular Weight345.23 g/mol
Exact Mass345.07
IUPAC Name2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide
SMILESI.NC(N)=NCC1(c2ccccc2)CCCC1
InChIInChI=1S/C13H19N3.HI/c14-12(15)16-10-13(8-4-5-9-13)11-6-2-1-3-7-11;/h1-3,6-7H,4-5,8-10H2,(H4,14,15,16);1H
InChIKeyVXDMEBVSKNXKCB-UHFFFAOYSA-N
XLogP2.39
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.39
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

2-[[1-(4-chlorophenyl)cyclobutyl]methyl]guanidine
CID 110935297
2-[[1-(3-bromophenyl)cyclobutyl]methyl]guanidine
CID 110918036
2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110935474
1-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
N'-[(1-phenylcyclobutyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038642
N'-[(1-phenylcyclopropyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111038801
N'-[(1-phenylcyclobutyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119117895
3-methyl-N'-[(1-phenylcyclopropyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111038838
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-phenylcyclopentyl)methyl]guanidine
CID 111038472
2-[(4-phenyloxan-4-yl)methyl]-1-propan-2-ylguanidine
CID 111067990
N'-[(1-phenylcyclopropyl)methyl]thiomorpholine-4-carboximidamide
CID 111038851
1-cyclopropyl-2-[(1-phenylcyclopropyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 75533264

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide?
The IUPAC name of 2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide (CID 110914388) is 2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide is I.NC(N)=NCC1(c2ccccc2)CCCC1.
What is the InChIKey of 2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide?
The InChIKey is VXDMEBVSKNXKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3.HI/c14-12(15)16-10-13(8-4-5-9-13)11-6-2-1-3-7-11;/h1-3,6-7H,4-5,8-10H2,(H4,14,15,16);1H.
What are the key properties of 2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide?
2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide has a molecular weight of 345.23 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylcyclopentyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110914388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).