N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine

C24H28BN — CID 23148929

IUPACN-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(B(C1=Cc2ccccc2C1)C1=Cc2ccccc2C1)C(C)C
InChIInChI=1S/C24H28BN/c1-17(2)26(18(3)4)25(23-13-19-9-5-6-10-20(19)14-23)24-15-21-11-7-8-12-22(21)16-24/h5-13,15,17-18H,14,16H2,1-4H3
InChIKeyLFCHIPSJWGUZKZ-UHFFFAOYSA-N
MW341.31 g/mol
LogP5.45
Rot. Bonds5

About N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine

N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine (PubChem CID 23148929) has the molecular formula C24H28BN and a molecular weight of 341.31 g/mol. Its IUPAC name is N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine
PubChem CID23148929
Molecular FormulaC24H28BN
Molecular Weight341.31 g/mol
Exact Mass341.23
IUPAC NameN-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(B(C1=Cc2ccccc2C1)C1=Cc2ccccc2C1)C(C)C
InChIInChI=1S/C24H28BN/c1-17(2)26(18(3)4)25(23-13-19-9-5-6-10-20(19)14-23)24-15-21-11-7-8-12-22(21)16-24/h5-13,15,17-18H,14,16H2,1-4H3
InChIKeyLFCHIPSJWGUZKZ-UHFFFAOYSA-N
XLogP5.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.31
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine (CID 23148929) is N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine is CC(C)N(B(C1=Cc2ccccc2C1)C1=Cc2ccccc2C1)C(C)C.
What is the InChIKey of N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is LFCHIPSJWGUZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28BN/c1-17(2)26(18(3)4)25(23-13-19-9-5-6-10-20(19)14-23)24-15-21-11-7-8-12-22(21)16-24/h5-13,15,17-18H,14,16H2,1-4H3.
What are the key properties of N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine?
N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 341.31 g/mol, XLogP of 5.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(1H-inden-2-yl)boranyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 23148929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).