bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine

C9H11N2Rb2+ — CID 58874107

IUPACbis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine
SMILESNc1ccc2c(c1)CNC[CH-]2.[Rb+].[Rb+]
InChIInChI=1S/C9H11N2.2Rb/c10-9-2-1-7-3-4-11-6-8(7)5-9;;/h1-3,5,11H,4,6,10H2;;/q-1;2*+1
InChIKeyRUPRMPGUSWDTDP-UHFFFAOYSA-N
MW318.14 g/mol
LogP-5.07
Rot. Bonds

About bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine

bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine (PubChem CID 58874107) has the molecular formula C9H11N2Rb2+ and a molecular weight of 318.14 g/mol. Its IUPAC name is bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine.

Molecular Properties

Compound Namebis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine
PubChem CID58874107
Molecular FormulaC9H11N2Rb2+
Molecular Weight318.14 g/mol
Exact Mass316.92
IUPAC Namebis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine
SMILESNc1ccc2c(c1)CNC[CH-]2.[Rb+].[Rb+]
InChIInChI=1S/C9H11N2.2Rb/c10-9-2-1-7-3-4-11-6-8(7)5-9;;/h1-3,5,11H,4,6,10H2;;/q-1;2*+1
InChIKeyRUPRMPGUSWDTDP-UHFFFAOYSA-N
XLogP-5.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 5-5.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine?
The IUPAC name of bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine (CID 58874107) is bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine.
What is the SMILES notation for bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine?
The canonical SMILES for bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine is Nc1ccc2c(c1)CNC[CH-]2.[Rb+].[Rb+].
What is the InChIKey of bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine?
The InChIKey is RUPRMPGUSWDTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N2.2Rb/c10-9-2-1-7-3-4-11-6-8(7)5-9;;/h1-3,5,11H,4,6,10H2;;/q-1;2*+1.
What are the key properties of bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine?
bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine has a molecular weight of 318.14 g/mol, XLogP of -5.07, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(rubidium(1+));1,2,3,4-tetrahydroisoquinolin-4-id-7-amine is sourced from PubChem (CID 58874107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).