2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide

C18H31IN4O — CID 111234652

IUPAC2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCc2ccccc21)NC(C)COC.I
InChIInChI=1S/C18H30N4O.HI/c1-5-19-18(21-14(2)13-23-4)20-12-15(3)22-11-10-16-8-6-7-9-17(16)22;/h6-9,14-15H,5,10-13H2,1-4H3,(H2,19,20,21);1H
InChIKeyCKCIBOUNDKAIHU-UHFFFAOYSA-N
MW446.38 g/mol
LogP2.65
Rot. Bonds7

About 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide

2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide (PubChem CID 111234652) has the molecular formula C18H31IN4O and a molecular weight of 446.38 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
PubChem CID111234652
Molecular FormulaC18H31IN4O
Molecular Weight446.38 g/mol
Exact Mass446.15
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCc2ccccc21)NC(C)COC.I
InChIInChI=1S/C18H30N4O.HI/c1-5-19-18(21-14(2)13-23-4)20-12-15(3)22-11-10-16-8-6-7-9-17(16)22;/h6-9,14-15H,5,10-13H2,1-4H3,(H2,19,20,21);1H
InChIKeyCKCIBOUNDKAIHU-UHFFFAOYSA-N
XLogP2.65
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 52.65
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

2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111343888
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971973
1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-phenylpropyl)guanidine
CID 111236665
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111829192
1-ethyl-3-(1-methoxypropan-2-yl)-2-(2-morpholin-4-yl-2-phenylethyl)guanidine;hydroiodide
CID 111236550
3-[2-[[N'-[2-(2,3-dihydroindol-1-yl)propyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632091
2-[2-(dimethylamino)-2-phenylethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236169
2-benzyl-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111236133
1-(cyclobutylmethyl)-2-[2-(2,3-dihydroindol-1-yl)propyl]guanidine;hydroiodide
CID 111067803
1-ethyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111763816
1-ethyl-3-(1-methoxypropan-2-yl)-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 111237234
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-(3-methylbutyl)guanidine
CID 111067766

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide (CID 111234652) is 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide is CCN/C(=N\CC(C)N1CCc2ccccc21)NC(C)COC.I.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
The InChIKey is CKCIBOUNDKAIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O.HI/c1-5-19-18(21-14(2)13-23-4)20-12-15(3)22-11-10-16-8-6-7-9-17(16)22;/h6-9,14-15H,5,10-13H2,1-4H3,(H2,19,20,21);1H.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide?
2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide has a molecular weight of 446.38 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)propyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111234652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).