1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide

C20H31IN4O2 — CID 111991066

IUPAC1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
SMILESC/N=C(/NCCCc1c[nH]c2ccccc12)NC(C)COC1CCOC1.I
InChIInChI=1S/C20H30N4O2.HI/c1-15(13-26-17-9-11-25-14-17)24-20(21-2)22-10-5-6-16-12-23-19-8-4-3-7-18(16)19;/h3-4,7-8,12,15,17,23H,5-6,9-11,13-14H2,1-2H3,(H2,21,22,24);1H
InChIKeySFYHSHUERPTKAH-UHFFFAOYSA-N
MW486.40 g/mol
LogP3.08
Rot. Bonds8

About 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide

1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide (PubChem CID 111991066) has the molecular formula C20H31IN4O2 and a molecular weight of 486.40 g/mol. Its IUPAC name is 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
PubChem CID111991066
Molecular FormulaC20H31IN4O2
Molecular Weight486.40 g/mol
Exact Mass486.15
IUPAC Name1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
SMILESC/N=C(/NCCCc1c[nH]c2ccccc12)NC(C)COC1CCOC1.I
InChIInChI=1S/C20H30N4O2.HI/c1-15(13-26-17-9-11-25-14-17)24-20(21-2)22-10-5-6-16-12-23-19-8-4-3-7-18(16)19;/h3-4,7-8,12,15,17,23H,5-6,9-11,13-14H2,1-2H3,(H2,21,22,24);1H
InChIKeySFYHSHUERPTKAH-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 53.08
H-Bond Donors ≤ 53
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

2-methyl-1-(naphthalen-1-ylmethyl)-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
CID 111978849
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111753394
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 110997130
1-[(4-bromophenyl)methyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide
CID 111978839
1-butan-2-yl-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110944386
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(2-methylpropyl)piperidin-4-yl]guanidine;hydroiodide
CID 111984174
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111988908
1-[3-(1H-indol-3-yl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 111548071
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-pentylguanidine
CID 111753236
1-(3-cyclopentyloxypropyl)-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine
CID 110996137
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948771
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 110997142

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide?
The IUPAC name of 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide (CID 111991066) is 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide.
What is the SMILES notation for 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide?
The canonical SMILES for 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide is C/N=C(/NCCCc1c[nH]c2ccccc12)NC(C)COC1CCOC1.I.
What is the InChIKey of 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide?
The InChIKey is SFYHSHUERPTKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.HI/c1-15(13-26-17-9-11-25-14-17)24-20(21-2)22-10-5-6-16-12-23-19-8-4-3-7-18(16)19;/h3-4,7-8,12,15,17,23H,5-6,9-11,13-14H2,1-2H3,(H2,21,22,24);1H.
What are the key properties of 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide?
1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide has a molecular weight of 486.40 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-indol-3-yl)propyl]-2-methyl-3-[1-(oxolan-3-yloxy)propan-2-yl]guanidine;hydroiodide is sourced from PubChem (CID 111991066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).