4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine

C9H10Br2N2 — CID 58962980

IUPAC4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1c(Br)cc2c(c1Br)CCC2N
InChIInChI=1S/C9H10Br2N2/c10-6-3-5-4(1-2-7(5)12)8(11)9(6)13/h3,7H,1-2,12-13H2
InChIKeyJBVKMNLHTLEWRW-UHFFFAOYSA-N
MW306.00 g/mol
LogP2.74
Rot. Bonds

About 4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine

4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 58962980) has the molecular formula C9H10Br2N2 and a molecular weight of 306.00 g/mol. Its IUPAC name is 4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID58962980
Molecular FormulaC9H10Br2N2
Molecular Weight306.00 g/mol
Exact Mass303.92
IUPAC Name4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1c(Br)cc2c(c1Br)CCC2N
InChIInChI=1S/C9H10Br2N2/c10-6-3-5-4(1-2-7(5)12)8(11)9(6)13/h3,7H,1-2,12-13H2
InChIKeyJBVKMNLHTLEWRW-UHFFFAOYSA-N
XLogP2.74
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine (CID 58962980) is 4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine is Nc1c(Br)cc2c(c1Br)CCC2N.
What is the InChIKey of 4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is JBVKMNLHTLEWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2N2/c10-6-3-5-4(1-2-7(5)12)8(11)9(6)13/h3,7H,1-2,12-13H2.
What are the key properties of 4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine?
4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 306.00 g/mol, XLogP of 2.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 58962980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).