N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine

C23H33BN2 — CID 139068045

IUPACN-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine
SMILESCC(C)N(B(NC(C)(C)C)C1c2ccccc2-c2ccccc21)C(C)C
InChIInChI=1S/C23H33BN2/c1-16(2)26(17(3)4)24(25-23(5,6)7)22-20-14-10-8-12-18(20)19-13-9-11-15-21(19)22/h8-17,22,25H,1-7H3
InChIKeyABXAKFPQSNYSIO-UHFFFAOYSA-N
MW348.34 g/mol
LogP5.33
Rot. Bonds5

About N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine

N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine (PubChem CID 139068045) has the molecular formula C23H33BN2 and a molecular weight of 348.34 g/mol. Its IUPAC name is N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine
PubChem CID139068045
Molecular FormulaC23H33BN2
Molecular Weight348.34 g/mol
Exact Mass348.27
IUPAC NameN-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine
SMILESCC(C)N(B(NC(C)(C)C)C1c2ccccc2-c2ccccc21)C(C)C
InChIInChI=1S/C23H33BN2/c1-16(2)26(17(3)4)24(25-23(5,6)7)22-20-14-10-8-12-18(20)19-13-9-11-15-21(19)22/h8-17,22,25H,1-7H3
InChIKeyABXAKFPQSNYSIO-UHFFFAOYSA-N
XLogP5.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.34
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine (CID 139068045) is N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine is CC(C)N(B(NC(C)(C)C)C1c2ccccc2-c2ccccc21)C(C)C.
What is the InChIKey of N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine?
The InChIKey is ABXAKFPQSNYSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33BN2/c1-16(2)26(17(3)4)24(25-23(5,6)7)22-20-14-10-8-12-18(20)19-13-9-11-15-21(19)22/h8-17,22,25H,1-7H3.
What are the key properties of N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine?
N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine has a molecular weight of 348.34 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[di(propan-2-yl)amino]-(9H-fluoren-9-yl)boranyl]-2-methylpropan-2-amine is sourced from PubChem (CID 139068045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).