1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide

C25H37IN4O — CID 109389216

IUPAC1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCCN1CCOCC1)NCC(Cc1ccccc1)c1ccccc1.I
InChIInChI=1S/C25H36N4O.HI/c1-26-25(27-14-8-9-15-29-16-18-30-19-17-29)28-21-24(23-12-6-3-7-13-23)20-22-10-4-2-5-11-22;/h2-7,10-13,24H,8-9,14-21H2,1H3,(H2,26,27,28);1H
InChIKeyFIRYWZQLOLUZCI-UHFFFAOYSA-N
MW536.50 g/mol
LogP3.91
Rot. Bonds10

About 1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide

1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide (PubChem CID 109389216) has the molecular formula C25H37IN4O and a molecular weight of 536.50 g/mol. Its IUPAC name is 1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
PubChem CID109389216
Molecular FormulaC25H37IN4O
Molecular Weight536.50 g/mol
Exact Mass536.20
IUPAC Name1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
SMILESC/N=C(\NCCCCN1CCOCC1)NCC(Cc1ccccc1)c1ccccc1.I
InChIInChI=1S/C25H36N4O.HI/c1-26-25(27-14-8-9-15-29-16-18-30-19-17-29)28-21-24(23-12-6-3-7-13-23)20-22-10-4-2-5-11-22;/h2-7,10-13,24H,8-9,14-21H2,1H3,(H2,26,27,28);1H
InChIKeyFIRYWZQLOLUZCI-UHFFFAOYSA-N
XLogP3.91
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.50
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(2,3-diphenylpropyl)-3-[4-(4-ethylpiperazin-1-yl)butyl]-2-methylguanidine
CID 109389332
1-(2,3-diphenylpropyl)-2-methyl-3-[3-(4-methyl-1,4-diazepan-1-yl)propyl]guanidine;hydroiodide
CID 109389699
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine
CID 111010707
2-methyl-1-(2-methylpropyl)-3-(4-morpholin-4-ylbutyl)guanidine
CID 111178514
2-methyl-1-(4-morpholin-4-ylbutyl)-3-(4-phenylbutan-2-yl)guanidine
CID 111171777
2-methyl-1-(3-methyl-2-phenylbutyl)-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111069121
2-methyl-1-(2-morpholin-4-ylethyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111029813
1-(2,3-diphenylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 109389339
2-methyl-1-[4-(4-methylpiperazin-1-yl)butyl]-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111342762
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111309697
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111388216
1-[3-(4-benzylpiperazin-1-yl)propyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111180683

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The IUPAC name of 1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide (CID 109389216) is 1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The canonical SMILES for 1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide is C/N=C(\NCCCCN1CCOCC1)NCC(Cc1ccccc1)c1ccccc1.I.
What is the InChIKey of 1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
The InChIKey is FIRYWZQLOLUZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O.HI/c1-26-25(27-14-8-9-15-29-16-18-30-19-17-29)28-21-24(23-12-6-3-7-13-23)20-22-10-4-2-5-11-22;/h2-7,10-13,24H,8-9,14-21H2,1H3,(H2,26,27,28);1H.
What are the key properties of 1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide?
1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide has a molecular weight of 536.50 g/mol, XLogP of 3.91, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-diphenylpropyl)-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide is sourced from PubChem (CID 109389216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).