N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine

C14H25BN2 — CID 5242016

IUPACN-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NB(NC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H25BN2/c1-13(2,3)16-15(17-14(4,5)6)12-10-8-7-9-11-12/h7-11,16-17H,1-6H3
InChIKeySFGIOBIGJOFJNW-UHFFFAOYSA-N
MW232.18 g/mol
LogP2.16
Rot. Bonds3

About N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine

N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine (PubChem CID 5242016) has the molecular formula C14H25BN2 and a molecular weight of 232.18 g/mol. Its IUPAC name is N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine
PubChem CID5242016
Molecular FormulaC14H25BN2
Molecular Weight232.18 g/mol
Exact Mass232.21
IUPAC NameN-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NB(NC(C)(C)C)c1ccccc1
InChIInChI=1S/C14H25BN2/c1-13(2,3)16-15(17-14(4,5)6)12-10-8-7-9-11-12/h7-11,16-17H,1-6H3
InChIKeySFGIOBIGJOFJNW-UHFFFAOYSA-N
XLogP2.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 52.16
H-Bond Donors ≤ 52
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-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine (CID 5242016) is N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine is CC(C)(C)NB(NC(C)(C)C)c1ccccc1.
What is the InChIKey of N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine?
The InChIKey is SFGIOBIGJOFJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BN2/c1-13(2,3)16-15(17-14(4,5)6)12-10-8-7-9-11-12/h7-11,16-17H,1-6H3.
What are the key properties of N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine?
N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine has a molecular weight of 232.18 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(tert-butylamino)-phenylboranyl]-2-methylpropan-2-amine is sourced from PubChem (CID 5242016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).