N-tert-butylboranyl-N-propan-2-ylpropan-2-amine

C10H24BN — CID 5326217

IUPACN-tert-butylboranyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(BC(C)(C)C)C(C)C
InChIInChI=1S/C10H24BN/c1-8(2)12(9(3)4)11-10(5,6)7/h8-9,11H,1-7H3
InChIKeyIMGZMOHPOFXVHE-UHFFFAOYSA-N
MW169.12 g/mol
LogP2.68
Rot. Bonds3

About N-tert-butylboranyl-N-propan-2-ylpropan-2-amine

N-tert-butylboranyl-N-propan-2-ylpropan-2-amine (PubChem CID 5326217) has the molecular formula C10H24BN and a molecular weight of 169.12 g/mol. Its IUPAC name is N-tert-butylboranyl-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-tert-butylboranyl-N-propan-2-ylpropan-2-amine
PubChem CID5326217
Molecular FormulaC10H24BN
Molecular Weight169.12 g/mol
Exact Mass169.20
IUPAC NameN-tert-butylboranyl-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(BC(C)(C)C)C(C)C
InChIInChI=1S/C10H24BN/c1-8(2)12(9(3)4)11-10(5,6)7/h8-9,11H,1-7H3
InChIKeyIMGZMOHPOFXVHE-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 52.68
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 N-tert-butylboranyl-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-tert-butylboranyl-N-propan-2-ylpropan-2-amine (CID 5326217) is N-tert-butylboranyl-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-tert-butylboranyl-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-tert-butylboranyl-N-propan-2-ylpropan-2-amine is CC(C)N(BC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butylboranyl-N-propan-2-ylpropan-2-amine?
The InChIKey is IMGZMOHPOFXVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24BN/c1-8(2)12(9(3)4)11-10(5,6)7/h8-9,11H,1-7H3.
What are the key properties of N-tert-butylboranyl-N-propan-2-ylpropan-2-amine?
N-tert-butylboranyl-N-propan-2-ylpropan-2-amine has a molecular weight of 169.12 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylboranyl-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 5326217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).