1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide

C20H27IN4 — CID 111056448

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
SMILESCC(C/N=C(\N)Nc1ccc2c(c1)CCC2)N(C)c1ccccc1.I
InChIInChI=1S/C20H26N4.HI/c1-15(24(2)19-9-4-3-5-10-19)14-22-20(21)23-18-12-11-16-7-6-8-17(16)13-18;/h3-5,9-13,15H,6-8,14H2,1-2H3,(H3,21,22,23);1H
InChIKeyGAENWCCTHHVQNH-UHFFFAOYSA-N
MW450.37 g/mol
LogP4.04
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide

1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide (PubChem CID 111056448) has the molecular formula C20H27IN4 and a molecular weight of 450.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
PubChem CID111056448
Molecular FormulaC20H27IN4
Molecular Weight450.37 g/mol
Exact Mass450.13
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
SMILESCC(C/N=C(\N)Nc1ccc2c(c1)CCC2)N(C)c1ccccc1.I
InChIInChI=1S/C20H26N4.HI/c1-15(24(2)19-9-4-3-5-10-19)14-22-20(21)23-18-12-11-16-7-6-8-17(16)13-18;/h3-5,9-13,15H,6-8,14H2,1-2H3,(H3,21,22,23);1H
InChIKeyGAENWCCTHHVQNH-UHFFFAOYSA-N
XLogP4.04
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine
CID 111026228
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111028923
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111061776
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085772
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111096431
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-methyl-3-piperidin-1-ylpropyl)guanidine;hydroiodide
CID 111074690
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033085
1-(2,3-dihydro-1H-inden-5-yl)-2-[4-(dimethylamino)-2-ethoxybutyl]guanidine
CID 111975315
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(2-fluorophenyl)-2-hydroxyethyl]guanidine
CID 111058156
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111055135
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-propan-2-yloxyethyl)guanidine;hydroiodide
CID 110032707

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide (CID 111056448) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide is CC(C/N=C(\N)Nc1ccc2c(c1)CCC2)N(C)c1ccccc1.I.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide?
The InChIKey is GAENWCCTHHVQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4.HI/c1-15(24(2)19-9-4-3-5-10-19)14-22-20(21)23-18-12-11-16-7-6-8-17(16)13-18;/h3-5,9-13,15H,6-8,14H2,1-2H3,(H3,21,22,23);1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide?
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide has a molecular weight of 450.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111056448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).