1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide

C26H36IN5O2 — CID 111753330

IUPAC1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCCc1c[nH]c2ccccc12)NCC(c1ccc(OC)cc1)N1CCOCC1.I
InChIInChI=1S/C26H35N5O2.HI/c1-27-26(28-13-5-6-21-18-29-24-8-4-3-7-23(21)24)30-19-25(31-14-16-33-17-15-31)20-9-11-22(32-2)12-10-20;/h3-4,7-12,18,25,29H,5-6,13-17,19H2,1-2H3,(H2,27,28,30);1H
InChIKeyVWYSVHGTUSLHSG-UHFFFAOYSA-N
MW577.51 g/mol
LogP3.97
Rot. Bonds9

About 1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide

1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide (PubChem CID 111753330) has the molecular formula C26H36IN5O2 and a molecular weight of 577.51 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
PubChem CID111753330
Molecular FormulaC26H36IN5O2
Molecular Weight577.51 g/mol
Exact Mass577.19
IUPAC Name1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCCCc1c[nH]c2ccccc12)NCC(c1ccc(OC)cc1)N1CCOCC1.I
InChIInChI=1S/C26H35N5O2.HI/c1-27-26(28-13-5-6-21-18-29-24-8-4-3-7-23(21)24)30-19-25(31-14-16-33-17-15-31)20-9-11-22(32-2)12-10-20;/h3-4,7-12,18,25,29H,5-6,13-17,19H2,1-2H3,(H2,27,28,30);1H
InChIKeyVWYSVHGTUSLHSG-UHFFFAOYSA-N
XLogP3.97
TPSA73.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.51
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(1H-indol-3-yl)ethyl]-2-methyl-3-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 110997385
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111985639
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110997162
1-hexyl-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 111160823
1-[2-(2-methoxyphenyl)ethyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine
CID 111310040
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 110996667
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(4-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111309697
2-methyl-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-morpholin-4-yl-2-phenylethyl)guanidine
CID 111973612
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 110997332
1-(3-cyclopropylpropyl)-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
CID 111795474
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111309675
1-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-phenylpropyl)guanidine;hydroiodide
CID 111309497

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide (CID 111753330) is 1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide is C/N=C(/NCCCc1c[nH]c2ccccc12)NCC(c1ccc(OC)cc1)N1CCOCC1.I.
What is the InChIKey of 1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?
The InChIKey is VWYSVHGTUSLHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2.HI/c1-27-26(28-13-5-6-21-18-29-24-8-4-3-7-23(21)24)30-19-25(31-14-16-33-17-15-31)20-9-11-22(32-2)12-10-20;/h3-4,7-12,18,25,29H,5-6,13-17,19H2,1-2H3,(H2,27,28,30);1H.
What are the key properties of 1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?
1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide has a molecular weight of 577.51 g/mol, XLogP of 3.97, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)propyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111753330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).