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

C17H29IN4O — CID 75532885

IUPAC2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CC(C(C)C)N2CCOCC2)cc1.I
InChIInChI=1S/C17H28N4O.HI/c1-13(2)16(21-8-10-22-11-9-21)12-19-17(18)20-15-6-4-14(3)5-7-15;/h4-7,13,16H,8-12H2,1-3H3,(H3,18,19,20);1H
InChIKeyYGDBDJZIQRKIJO-UHFFFAOYSA-N
MW432.35 g/mol
LogP2.70
Rot. Bonds5

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

2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide (PubChem CID 75532885) has the molecular formula C17H29IN4O and a molecular weight of 432.35 g/mol. Its IUPAC name is 2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide
PubChem CID75532885
Molecular FormulaC17H29IN4O
Molecular Weight432.35 g/mol
Exact Mass432.14
IUPAC Name2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/CC(C(C)C)N2CCOCC2)cc1.I
InChIInChI=1S/C17H28N4O.HI/c1-13(2)16(21-8-10-22-11-9-21)12-19-17(18)20-15-6-4-14(3)5-7-15;/h4-7,13,16H,8-12H2,1-3H3,(H3,18,19,20);1H
InChIKeyYGDBDJZIQRKIJO-UHFFFAOYSA-N
XLogP2.70
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 52.70
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

1-(4-methylphenyl)-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111042523
1-(3,4-dimethylphenyl)-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111042515
2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide
CID 111041654
1-(4-methylphenyl)-2-[2-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111086030
2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111042416
1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054829
2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111042380
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
CID 111757688
2-(2-methyl-3-morpholin-4-ylpropyl)-1-phenylguanidine
CID 111439306
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027009

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide (CID 75532885) is 2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide is Cc1ccc(N/C(N)=N/CC(C(C)C)N2CCOCC2)cc1.I.
What is the InChIKey of 2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide?
The InChIKey is YGDBDJZIQRKIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.HI/c1-13(2)16(21-8-10-22-11-9-21)12-19-17(18)20-15-6-4-14(3)5-7-15;/h4-7,13,16H,8-12H2,1-3H3,(H3,18,19,20);1H.
What are the key properties of 2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide?
2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide has a molecular weight of 432.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 75532885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).