Borane N,N-diisopropylethylamine complex

C8H19BN — CID 11789314

IUPAC—
SMILESCCN(C(C)C)C(C)C.[B]
InChIInChI=1S/C8H19N.B/c1-6-9(7(2)3)8(4)5;/h7-8H,6H2,1-5H3;
InChIKeyBYKCUMSOQIPHSR-UHFFFAOYSA-N
MW140.06 g/mol
LogP1.74
Rot. Bonds3

About Borane N,N-diisopropylethylamine complex

Borane N,N-diisopropylethylamine complex (PubChem CID 11789314) has the molecular formula C8H19BN and a molecular weight of 140.06 g/mol.

Molecular Properties

Compound NameBorane N,N-diisopropylethylamine complex
PubChem CID11789314
Molecular FormulaC8H19BN
Molecular Weight140.06 g/mol
Exact Mass140.16
IUPAC Name—
SMILESCCN(C(C)C)C(C)C.[B]
InChIInChI=1S/C8H19N.B/c1-6-9(7(2)3)8(4)5;/h7-8H,6H2,1-5H3;
InChIKeyBYKCUMSOQIPHSR-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.06
LogP ≤ 51.74
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 Borane N,N-diisopropylethylamine complex?
The IUPAC name of Borane N,N-diisopropylethylamine complex (CID 11789314) is not available.
What is the SMILES notation for Borane N,N-diisopropylethylamine complex?
The canonical SMILES for Borane N,N-diisopropylethylamine complex is CCN(C(C)C)C(C)C.[B].
What is the InChIKey of Borane N,N-diisopropylethylamine complex?
The InChIKey is BYKCUMSOQIPHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.B/c1-6-9(7(2)3)8(4)5;/h7-8H,6H2,1-5H3;.
What are the key properties of Borane N,N-diisopropylethylamine complex?
Borane N,N-diisopropylethylamine complex has a molecular weight of 140.06 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Borane N,N-diisopropylethylamine complex is sourced from PubChem (CID 11789314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).