2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide

C19H33IN4O — CID 111041654

IUPAC2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide
SMILESCCC(CC)C(C/N=C(\N)Nc1cccc(C)c1)N1CCOCC1.I
InChIInChI=1S/C19H32N4O.HI/c1-4-16(5-2)18(23-9-11-24-12-10-23)14-21-19(20)22-17-8-6-7-15(3)13-17;/h6-8,13,16,18H,4-5,9-12,14H2,1-3H3,(H3,20,21,22);1H
InChIKeyZBMCGSCNHHPVJY-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.48
Rot. Bonds7

About 2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide

2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide (PubChem CID 111041654) has the molecular formula C19H33IN4O and a molecular weight of 460.40 g/mol. Its IUPAC name is 2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide
PubChem CID111041654
Molecular FormulaC19H33IN4O
Molecular Weight460.40 g/mol
Exact Mass460.17
IUPAC Name2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide
SMILESCCC(CC)C(C/N=C(\N)Nc1cccc(C)c1)N1CCOCC1.I
InChIInChI=1S/C19H32N4O.HI/c1-4-16(5-2)18(23-9-11-24-12-10-23)14-21-19(20)22-17-8-6-7-15(3)13-17;/h6-8,13,16,18H,4-5,9-12,14H2,1-3H3,(H3,20,21,22);1H
InChIKeyZBMCGSCNHHPVJY-UHFFFAOYSA-N
XLogP3.48
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.48
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-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111028236
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-methylphenyl)guanidine
CID 111054709
1-(3-methylphenyl)-2-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 119142397
1-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-(3-methylphenyl)urea
CID 30749452
2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
1-(3-methylphenyl)-2-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111059830
2-(3-methyl-2-morpholin-4-ylbutyl)-1-(4-methylphenyl)guanidine;hydroiodide
CID 75532885
1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054829
1-(3,5-dimethylphenyl)-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine
CID 111027009
2-butyl-1-(3-methylphenyl)guanidine;hydroiodide
CID 111023150
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 119142402

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide (CID 111041654) is 2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide is CCC(CC)C(C/N=C(\N)Nc1cccc(C)c1)N1CCOCC1.I.
What is the InChIKey of 2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide?
The InChIKey is ZBMCGSCNHHPVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.HI/c1-4-16(5-2)18(23-9-11-24-12-10-23)14-21-19(20)22-17-8-6-7-15(3)13-17;/h6-8,13,16,18H,4-5,9-12,14H2,1-3H3,(H3,20,21,22);1H.
What are the key properties of 2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide?
2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide has a molecular weight of 460.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111041654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).