2-N'-iodo-1,3-dihydroindene-2,2-diamine

C9H11IN2 — CID 142173219

IUPAC2-N'-iodo-1,3-dihydroindene-2,2-diamine
SMILESNC1(NI)Cc2ccccc2C1
InChIInChI=1S/C9H11IN2/c10-12-9(11)5-7-3-1-2-4-8(7)6-9/h1-4,12H,5-6,11H2
InChIKeyUODCNZOKQHQQDM-UHFFFAOYSA-N
MW274.10 g/mol
LogP1.38
Rot. Bonds1

About 2-N'-iodo-1,3-dihydroindene-2,2-diamine

2-N'-iodo-1,3-dihydroindene-2,2-diamine (PubChem CID 142173219) has the molecular formula C9H11IN2 and a molecular weight of 274.10 g/mol. Its IUPAC name is 2-N'-iodo-1,3-dihydroindene-2,2-diamine.

Molecular Properties

Compound Name2-N'-iodo-1,3-dihydroindene-2,2-diamine
PubChem CID142173219
Molecular FormulaC9H11IN2
Molecular Weight274.10 g/mol
Exact Mass274.00
IUPAC Name2-N'-iodo-1,3-dihydroindene-2,2-diamine
SMILESNC1(NI)Cc2ccccc2C1
InChIInChI=1S/C9H11IN2/c10-12-9(11)5-7-3-1-2-4-8(7)6-9/h1-4,12H,5-6,11H2
InChIKeyUODCNZOKQHQQDM-UHFFFAOYSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

2-N'-methyl-1,3-dihydroindene-2,2-diamine
CID 143105320
2-methyl-3,4-dihydro-1H-naphthalen-2-amine;hydrochloride
CID 138040145
(2-amino-1,3-dihydroinden-2-yl)phosphonic acid;hydrochloride
CID 70700922
2-(3,5-dimethylcyclohexyl)-1,3-dihydroinden-2-amine
CID 64729680
6,6,8,8-tetramethyl-7,9-dihydro-5H-benzo[7]annulene
CID 23270637
2-thiophen-3-yl-1,3-dihydroinden-2-amine
CID 65099342
2-amino-3,4-dihydro-1H-naphthalene-2-carbonitrile;hydrochloride
CID 19919898
spiro[1,3-dihydroindene-2,2'-cyclopropane]-1'-ylmethanamine
CID 62708148
2-pentan-2-yl-1,3-dihydroinden-2-amine
CID 107892275
2-amino-3,4-dihydro-1H-naphthalene-2-carboxylic acid;hydrate
CID 91886239
2-(2-phenoxyethyl)-1,3-dihydroinden-2-amine
CID 62622533
2-(2,4-dimethylphenyl)-1,3-dihydroinden-2-amine
CID 55120370

Frequently Asked Questions

What is the IUPAC name of 2-N'-iodo-1,3-dihydroindene-2,2-diamine?
The IUPAC name of 2-N'-iodo-1,3-dihydroindene-2,2-diamine (CID 142173219) is 2-N'-iodo-1,3-dihydroindene-2,2-diamine.
What is the SMILES notation for 2-N'-iodo-1,3-dihydroindene-2,2-diamine?
The canonical SMILES for 2-N'-iodo-1,3-dihydroindene-2,2-diamine is NC1(NI)Cc2ccccc2C1.
What is the InChIKey of 2-N'-iodo-1,3-dihydroindene-2,2-diamine?
The InChIKey is UODCNZOKQHQQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2/c10-12-9(11)5-7-3-1-2-4-8(7)6-9/h1-4,12H,5-6,11H2.
What are the key properties of 2-N'-iodo-1,3-dihydroindene-2,2-diamine?
2-N'-iodo-1,3-dihydroindene-2,2-diamine has a molecular weight of 274.10 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-iodo-1,3-dihydroindene-2,2-diamine is sourced from PubChem (CID 142173219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).