3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride

C11H25BClNO2 — CID 66886220

IUPAC3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride
SMILESCC(C)CC(N)B1OC(C)(C)C(C)(C)O1.Cl
InChIInChI=1S/C11H24BNO2.ClH/c1-8(2)7-9(13)12-14-10(3,4)11(5,6)15-12;/h8-9H,7,13H2,1-6H3;1H
InChIKeyADICRSVFBDCOLO-UHFFFAOYSA-N
MW249.59 g/mol
LogP2.41
Rot. Bonds3

About 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride

3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride (PubChem CID 66886220) has the molecular formula C11H25BClNO2 and a molecular weight of 249.59 g/mol. Its IUPAC name is 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride
PubChem CID66886220
Molecular FormulaC11H25BClNO2
Molecular Weight249.59 g/mol
Exact Mass249.17
IUPAC Name3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride
SMILESCC(C)CC(N)B1OC(C)(C)C(C)(C)O1.Cl
InChIInChI=1S/C11H24BNO2.ClH/c1-8(2)7-9(13)12-14-10(3,4)11(5,6)15-12;/h8-9H,7,13H2,1-6H3;1H
InChIKeyADICRSVFBDCOLO-UHFFFAOYSA-N
XLogP2.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.59
LogP ≤ 52.41
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 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride?
The IUPAC name of 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride (CID 66886220) is 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride.
What is the SMILES notation for 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride?
The canonical SMILES for 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride is CC(C)CC(N)B1OC(C)(C)C(C)(C)O1.Cl.
What is the InChIKey of 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride?
The InChIKey is ADICRSVFBDCOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BNO2.ClH/c1-8(2)7-9(13)12-14-10(3,4)11(5,6)15-12;/h8-9H,7,13H2,1-6H3;1H.
What are the key properties of 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride?
3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride has a molecular weight of 249.59 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butan-1-amine;hydrochloride is sourced from PubChem (CID 66886220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).