1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine

C20H26N4 — CID 111026228

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine
SMILESCN(C)C(C/N=C(\N)Nc1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C20H26N4/c1-24(2)19(16-7-4-3-5-8-16)14-22-20(21)23-18-12-11-15-9-6-10-17(15)13-18/h3-5,7-8,11-13,19H,6,9-10,14H2,1-2H3,(H3,21,22,23)
InChIKeyWXXFEDUQAQDAEL-UHFFFAOYSA-N
MW322.46 g/mol
LogP3.20
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine

1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine (PubChem CID 111026228) has the molecular formula C20H26N4 and a molecular weight of 322.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine
PubChem CID111026228
Molecular FormulaC20H26N4
Molecular Weight322.46 g/mol
Exact Mass322.22
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine
SMILESCN(C)C(C/N=C(\N)Nc1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C20H26N4/c1-24(2)19(16-7-4-3-5-8-16)14-22-20(21)23-18-12-11-15-9-6-10-17(15)13-18/h3-5,7-8,11-13,19H,6,9-10,14H2,1-2H3,(H3,21,22,23)
InChIKeyWXXFEDUQAQDAEL-UHFFFAOYSA-N
XLogP3.20
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.46
LogP ≤ 53.20
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'}

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Related Compounds

1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111028923
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056448
2-[2-(dimethylamino)-2-phenylethyl]-1-(4-methoxyphenyl)guanidine
CID 111026174
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033085
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
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-(4-phenylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111061776
2-[2-(dimethylamino)-2-phenylethyl]-1-propan-2-ylguanidine
CID 111026200
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-thiophen-3-ylpropyl)guanidine
CID 111758157
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-[ethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111085772
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-pyrrolidin-1-ylbutyl)guanidine
CID 111055135

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine (CID 111026228) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine is CN(C)C(C/N=C(\N)Nc1ccc2c(c1)CCC2)c1ccccc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine?
The InChIKey is WXXFEDUQAQDAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4/c1-24(2)19(16-7-4-3-5-8-16)14-22-20(21)23-18-12-11-15-9-6-10-17(15)13-18/h3-5,7-8,11-13,19H,6,9-10,14H2,1-2H3,(H3,21,22,23).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine?
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(dimethylamino)-2-phenylethyl]guanidine has a molecular weight of 322.46 g/mol, XLogP of 3.20, 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-(dimethylamino)-2-phenylethyl]guanidine is sourced from PubChem (CID 111026228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).