(3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine

C10H22BNO2 — CID 154475486

IUPAC(3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine
SMILESCC(N)[C@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H22BNO2/c1-7(8(2)12)11-13-9(3,4)10(5,6)14-11/h7-8H,12H2,1-6H3/t7-,8?/m0/s1
InChIKeyYVKDEEXHJUHCFR-JAMMHHFISA-N
MW199.10 g/mol
LogP1.82
Rot. Bonds2

About (3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine

(3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine (PubChem CID 154475486) has the molecular formula C10H22BNO2 and a molecular weight of 199.10 g/mol. Its IUPAC name is (3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name(3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine
PubChem CID154475486
Molecular FormulaC10H22BNO2
Molecular Weight199.10 g/mol
Exact Mass199.17
IUPAC Name(3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine
SMILESCC(N)[C@H](C)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H22BNO2/c1-7(8(2)12)11-13-9(3,4)10(5,6)14-11/h7-8H,12H2,1-6H3/t7-,8?/m0/s1
InChIKeyYVKDEEXHJUHCFR-JAMMHHFISA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.10
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine?
The IUPAC name of (3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine (CID 154475486) is (3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine.
What is the SMILES notation for (3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine?
The canonical SMILES for (3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine is CC(N)[C@H](C)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine?
The InChIKey is YVKDEEXHJUHCFR-JAMMHHFISA-N. The full InChI is InChI=1S/C10H22BNO2/c1-7(8(2)12)11-13-9(3,4)10(5,6)14-11/h7-8H,12H2,1-6H3/t7-,8?/m0/s1.
What are the key properties of (3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine?
(3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine has a molecular weight of 199.10 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-2-amine is sourced from PubChem (CID 154475486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).