borinine;2-methylpropan-2-amine

C9H16BN — CID 174402218

IUPACborinine;2-methylpropan-2-amine
SMILESCC(C)(C)N.b1ccccc1
InChIInChI=1S/C5H5B.C4H11N/c1-2-4-6-5-3-1;1-4(2,3)5/h1-5H;5H2,1-3H3
InChIKeyQDOFXZPUBHZCNZ-UHFFFAOYSA-N
MW149.05 g/mol
LogP1.77
Rot. Bonds

About borinine;2-methylpropan-2-amine

borinine;2-methylpropan-2-amine (PubChem CID 174402218) has the molecular formula C9H16BN and a molecular weight of 149.05 g/mol. Its IUPAC name is borinine;2-methylpropan-2-amine.

Molecular Properties

Compound Nameborinine;2-methylpropan-2-amine
PubChem CID174402218
Molecular FormulaC9H16BN
Molecular Weight149.05 g/mol
Exact Mass149.14
IUPAC Nameborinine;2-methylpropan-2-amine
SMILESCC(C)(C)N.b1ccccc1
InChIInChI=1S/C5H5B.C4H11N/c1-2-4-6-5-3-1;1-4(2,3)5/h1-5H;5H2,1-3H3
InChIKeyQDOFXZPUBHZCNZ-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.05
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of borinine;2-methylpropan-2-amine?
The IUPAC name of borinine;2-methylpropan-2-amine (CID 174402218) is borinine;2-methylpropan-2-amine.
What is the SMILES notation for borinine;2-methylpropan-2-amine?
The canonical SMILES for borinine;2-methylpropan-2-amine is CC(C)(C)N.b1ccccc1.
What is the InChIKey of borinine;2-methylpropan-2-amine?
The InChIKey is QDOFXZPUBHZCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5B.C4H11N/c1-2-4-6-5-3-1;1-4(2,3)5/h1-5H;5H2,1-3H3.
What are the key properties of borinine;2-methylpropan-2-amine?
borinine;2-methylpropan-2-amine has a molecular weight of 149.05 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for borinine;2-methylpropan-2-amine is sourced from PubChem (CID 174402218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).