2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide

C16H23ClIN3 — CID 119148136

IUPAC2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide
SMILESI.N/C(=N\CC1(c2cccc(Cl)c2)CC1)NC1CCCC1
InChIInChI=1S/C16H22ClN3.HI/c17-13-5-3-4-12(10-13)16(8-9-16)11-19-15(18)20-14-6-1-2-7-14;/h3-5,10,14H,1-2,6-9,11H2,(H3,18,19,20);1H
InChIKeyIBIQPAPFCQOOIF-UHFFFAOYSA-N
MW419.74 g/mol
LogP3.84
Rot. Bonds4

About 2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide

2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide (PubChem CID 119148136) has the molecular formula C16H23ClIN3 and a molecular weight of 419.74 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide
PubChem CID119148136
Molecular FormulaC16H23ClIN3
Molecular Weight419.74 g/mol
Exact Mass419.06
IUPAC Name2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide
SMILESI.N/C(=N\CC1(c2cccc(Cl)c2)CC1)NC1CCCC1
InChIInChI=1S/C16H22ClN3.HI/c17-13-5-3-4-12(10-13)16(8-9-16)11-19-15(18)20-14-6-1-2-7-14;/h3-5,10,14H,1-2,6-9,11H2,(H3,18,19,20);1H
InChIKeyIBIQPAPFCQOOIF-UHFFFAOYSA-N
XLogP3.84
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.74
LogP ≤ 53.84
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-cyclohexyl-2-[(1-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111038799
1-butyl-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111640337
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111818335
2-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111081100
1-[[1-(3-chlorophenyl)cyclopropyl]methyl]-3-cyclopentyl-2-methylguanidine
CID 111771280
1-cyclohexyl-2-[[1-(2-fluorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111816619
1-(3-chloro-4-methoxyphenyl)-2-[[1-(3-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111818337
2-[2-(3-chlorophenoxy)ethyl]-1-cyclohexylguanidine
CID 111071423
2-[[4-(4-bromophenyl)oxan-4-yl]methyl]-1-cyclohexylguanidine;hydroiodide
CID 111097254
2-[[4-(3-chlorophenyl)oxan-4-yl]methyl]guanidine
CID 110918050
2-[[1-(3-chlorophenyl)cyclopentyl]methyl]-1,1,3,3-tetramethylguanidine
CID 111081095
ethyl 4-[[N'-[[1-(3-bromophenyl)cyclopropyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111812093

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide?
The IUPAC name of 2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide (CID 119148136) is 2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide?
The canonical SMILES for 2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide is I.N/C(=N\CC1(c2cccc(Cl)c2)CC1)NC1CCCC1.
What is the InChIKey of 2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide?
The InChIKey is IBIQPAPFCQOOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3.HI/c17-13-5-3-4-12(10-13)16(8-9-16)11-19-15(18)20-14-6-1-2-7-14;/h3-5,10,14H,1-2,6-9,11H2,(H3,18,19,20);1H.
What are the key properties of 2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide?
2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide has a molecular weight of 419.74 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)cyclopropyl]methyl]-1-cyclopentylguanidine;hydroiodide is sourced from PubChem (CID 119148136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).