N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine

C12H21BN2 — CID 12731037

IUPACN-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine
SMILESCN(C)B(NC(C)(C)C)c1ccccc1
InChIInChI=1S/C12H21BN2/c1-12(2,3)14-13(15(4)5)11-9-7-6-8-10-11/h6-10,14H,1-5H3
InChIKeyIBZOBDKJZNTAFX-UHFFFAOYSA-N
MW204.13 g/mol
LogP1.33
Rot. Bonds3

About N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine

N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine (PubChem CID 12731037) has the molecular formula C12H21BN2 and a molecular weight of 204.13 g/mol. Its IUPAC name is N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine
PubChem CID12731037
Molecular FormulaC12H21BN2
Molecular Weight204.13 g/mol
Exact Mass204.18
IUPAC NameN-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine
SMILESCN(C)B(NC(C)(C)C)c1ccccc1
InChIInChI=1S/C12H21BN2/c1-12(2,3)14-13(15(4)5)11-9-7-6-8-10-11/h6-10,14H,1-5H3
InChIKeyIBZOBDKJZNTAFX-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 51.33
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-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine?
The IUPAC name of N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine (CID 12731037) is N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine is CN(C)B(NC(C)(C)C)c1ccccc1.
What is the InChIKey of N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine?
The InChIKey is IBZOBDKJZNTAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BN2/c1-12(2,3)14-13(15(4)5)11-9-7-6-8-10-11/h6-10,14H,1-5H3.
What are the key properties of N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine?
N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine has a molecular weight of 204.13 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino(phenyl)boranyl]-2-methylpropan-2-amine is sourced from PubChem (CID 12731037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).