boric acid;1,2,3,4-tetrahydroacridin-9-amine

C13H17BN2O3 — CID 70251064

IUPACboric acid;1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3ccccc13)CCCC2.OB(O)O
InChIInChI=1S/C13H14N2.BH3O3/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;2-1(3)4/h1,3,5,7H,2,4,6,8H2,(H2,14,15);2-4H
InChIKeyKOVMVIZGFSOJPV-UHFFFAOYSA-N
MW260.10 g/mol
LogP0.64
Rot. Bonds

About boric acid;1,2,3,4-tetrahydroacridin-9-amine

boric acid;1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 70251064) has the molecular formula C13H17BN2O3 and a molecular weight of 260.10 g/mol. Its IUPAC name is boric acid;1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Nameboric acid;1,2,3,4-tetrahydroacridin-9-amine
PubChem CID70251064
Molecular FormulaC13H17BN2O3
Molecular Weight260.10 g/mol
Exact Mass260.13
IUPAC Nameboric acid;1,2,3,4-tetrahydroacridin-9-amine
SMILESNc1c2c(nc3ccccc13)CCCC2.OB(O)O
InChIInChI=1S/C13H14N2.BH3O3/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;2-1(3)4/h1,3,5,7H,2,4,6,8H2,(H2,14,15);2-4H
InChIKeyKOVMVIZGFSOJPV-UHFFFAOYSA-N
XLogP0.64
TPSA99.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of boric acid;1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of boric acid;1,2,3,4-tetrahydroacridin-9-amine (CID 70251064) is boric acid;1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for boric acid;1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for boric acid;1,2,3,4-tetrahydroacridin-9-amine is Nc1c2c(nc3ccccc13)CCCC2.OB(O)O.
What is the InChIKey of boric acid;1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is KOVMVIZGFSOJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.BH3O3/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;2-1(3)4/h1,3,5,7H,2,4,6,8H2,(H2,14,15);2-4H.
What are the key properties of boric acid;1,2,3,4-tetrahydroacridin-9-amine?
boric acid;1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 260.10 g/mol, XLogP of 0.64, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 70251064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).