1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide

C20H24IN3 — CID 111810583

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CC1c1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H23N3.HI/c21-20(23-18-10-9-14-7-4-8-16(14)11-18)22-13-17-12-19(17)15-5-2-1-3-6-15;/h1-3,5-6,9-11,17,19H,4,7-8,12-13H2,(H3,21,22,23);1H
InChIKeyXBNOAPCFLOGIIW-UHFFFAOYSA-N
MW433.34 g/mol
LogP4.32
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide

1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide (PubChem CID 111810583) has the molecular formula C20H24IN3 and a molecular weight of 433.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
PubChem CID111810583
Molecular FormulaC20H24IN3
Molecular Weight433.34 g/mol
Exact Mass433.10
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
SMILESI.N/C(=N\CC1CC1c1ccccc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C20H23N3.HI/c21-20(23-18-10-9-14-7-4-8-16(14)11-18)22-13-17-12-19(17)15-5-2-1-3-6-15;/h1-3,5-6,9-11,17,19H,4,7-8,12-13H2,(H3,21,22,23);1H
InChIKeyXBNOAPCFLOGIIW-UHFFFAOYSA-N
XLogP4.32
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.34
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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

1-(3-ethylphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide
CID 111810551
2-[[(1R,2S)-2-cyclopropylcyclopropyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 122098172
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
1-(3-methoxyphenyl)-2-[(2-phenylcyclopropyl)methyl]guanidine
CID 111810616
2-[(2-phenylcyclopropyl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111810562
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111033085
2-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 122096821
N-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 111042722
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-4-ylmethyl)guanidine
CID 119118923
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(N-methylanilino)propyl]guanidine;hydroiodide
CID 111056448
1-(2,3-dihydro-1H-inden-5-yl)-2-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111086787
1-(2,3-dihydro-1H-inden-5-yl)-2-(oxan-2-ylmethyl)guanidine
CID 119120023

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide (CID 111810583) is 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide is I.N/C(=N\CC1CC1c1ccccc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
The InChIKey is XBNOAPCFLOGIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3.HI/c21-20(23-18-10-9-14-7-4-8-16(14)11-18)22-13-17-12-19(17)15-5-2-1-3-6-15;/h1-3,5-6,9-11,17,19H,4,7-8,12-13H2,(H3,21,22,23);1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide?
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide has a molecular weight of 433.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-[(2-phenylcyclopropyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111810583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).