2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

C18H38IN5O — CID 111042286

IUPAC2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCN1CCOCC1)NCC(CC(C)C)N1CCCC1.I
InChIInChI=1S/C18H37N5O.HI/c1-16(2)14-17(23-7-4-5-8-23)15-21-18(19-3)20-6-9-22-10-12-24-13-11-22;/h16-17H,4-15H2,1-3H3,(H2,19,20,21);1H
InChIKeyLBLZVBOSFXJFBS-UHFFFAOYSA-N
MW467.44 g/mol
LogP1.61
Rot. Bonds8

About 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide

2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (PubChem CID 111042286) has the molecular formula C18H38IN5O and a molecular weight of 467.44 g/mol. Its IUPAC name is 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
PubChem CID111042286
Molecular FormulaC18H38IN5O
Molecular Weight467.44 g/mol
Exact Mass467.21
IUPAC Name2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
SMILESC/N=C(/NCCN1CCOCC1)NCC(CC(C)C)N1CCCC1.I
InChIInChI=1S/C18H37N5O.HI/c1-16(2)14-17(23-7-4-5-8-23)15-21-18(19-3)20-6-9-22-10-12-24-13-11-22;/h16-17H,4-15H2,1-3H3,(H2,19,20,21);1H
InChIKeyLBLZVBOSFXJFBS-UHFFFAOYSA-N
XLogP1.61
TPSA52.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine
CID 111042287
1-[2-(azepan-1-yl)ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111936106
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methylsulfanylethyl)guanidine
CID 111345121
2-methyl-N-[2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]propanamide
CID 111928490
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111935610
1-butyl-2-methyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine
CID 111150541
2,2-dimethyl-N-[2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111936040
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-propan-2-ylguanidine;hydroiodide
CID 111125178
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029813
2-methyl-1-(4-methyl-2-morpholin-4-ylpentyl)-3-(3-propan-2-yloxypropyl)guanidine
CID 111246771
2-cyclopentyl-N-[2-[[N'-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111936166
1-[2-(4-ethylpiperazin-1-yl)propyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111056108

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide (CID 111042286) is 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is C/N=C(/NCCN1CCOCC1)NCC(CC(C)C)N1CCCC1.I.
What is the InChIKey of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
The InChIKey is LBLZVBOSFXJFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O.HI/c1-16(2)14-17(23-7-4-5-8-23)15-21-18(19-3)20-6-9-22-10-12-24-13-11-22;/h16-17H,4-15H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide?
2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 467.44 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methyl-2-pyrrolidin-1-ylpentyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111042286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).