2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide

C17H26ClIN4O — CID 120679689

IUPAC2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1cc(Cl)ccc1N1CCOCC1)NC1CCCC1
InChIInChI=1S/C17H25ClN4O.HI/c18-14-5-6-16(22-7-9-23-10-8-22)13(11-14)12-20-17(19)21-15-3-1-2-4-15;/h5-6,11,15H,1-4,7-10,12H2,(H3,19,20,21);1H
InChIKeyNSJLYXICCGRBGB-UHFFFAOYSA-N
MW464.78 g/mol
LogP3.14
Rot. Bonds4

About 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide

2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide (PubChem CID 120679689) has the molecular formula C17H26ClIN4O and a molecular weight of 464.78 g/mol. Its IUPAC name is 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide
PubChem CID120679689
Molecular FormulaC17H26ClIN4O
Molecular Weight464.78 g/mol
Exact Mass464.08
IUPAC Name2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide
SMILESI.N/C(=N\Cc1cc(Cl)ccc1N1CCOCC1)NC1CCCC1
InChIInChI=1S/C17H25ClN4O.HI/c18-14-5-6-16(22-7-9-23-10-8-22)13(11-14)12-20-17(19)21-15-3-1-2-4-15;/h5-6,11,15H,1-4,7-10,12H2,(H3,19,20,21);1H
InChIKeyNSJLYXICCGRBGB-UHFFFAOYSA-N
XLogP3.14
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.78
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-(cyclobutylmethyl)guanidine
CID 120679680
2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine
CID 120679682
1-cyclopentyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 75534547
1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 47086552
2-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1-cyclohexylguanidine;hydroiodide
CID 111087032
2-[(4-chloro-2-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111806809
2-[(4-chloro-2-iodophenyl)methyl]-1-cyclobutylguanidine
CID 122095651
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567
1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111084070
2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopentylguanidine;hydroiodide
CID 119147941
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1-cyclopentylguanidine;hydroiodide
CID 119121156
2-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-1-cyclohexylguanidine
CID 111094788

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide?
The IUPAC name of 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide (CID 120679689) is 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide.
What is the SMILES notation for 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide?
The canonical SMILES for 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide is I.N/C(=N\Cc1cc(Cl)ccc1N1CCOCC1)NC1CCCC1.
What is the InChIKey of 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide?
The InChIKey is NSJLYXICCGRBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O.HI/c18-14-5-6-16(22-7-9-23-10-8-22)13(11-14)12-20-17(19)21-15-3-1-2-4-15;/h5-6,11,15H,1-4,7-10,12H2,(H3,19,20,21);1H.
What are the key properties of 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide?
2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide has a molecular weight of 464.78 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide is sourced from PubChem (CID 120679689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).