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

C10H23BClNO2 — CID 153315417

IUPAC(1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride
SMILESCC(C)[C@H](N)B1OC(C)(C)C(C)(C)O1.Cl
InChIInChI=1S/C10H22BNO2.ClH/c1-7(2)8(12)11-13-9(3,4)10(5,6)14-11;/h7-8H,12H2,1-6H3;1H/t8-;/m0./s1
InChIKeyDNNYZPSQUZNJOQ-QRPNPIFTSA-N
MW235.56 g/mol
LogP2.02
Rot. Bonds2

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

(1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride (PubChem CID 153315417) has the molecular formula C10H23BClNO2 and a molecular weight of 235.56 g/mol. Its IUPAC name is (1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride
PubChem CID153315417
Molecular FormulaC10H23BClNO2
Molecular Weight235.56 g/mol
Exact Mass235.15
IUPAC Name(1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride
SMILESCC(C)[C@H](N)B1OC(C)(C)C(C)(C)O1.Cl
InChIInChI=1S/C10H22BNO2.ClH/c1-7(2)8(12)11-13-9(3,4)10(5,6)14-11;/h7-8H,12H2,1-6H3;1H/t8-;/m0./s1
InChIKeyDNNYZPSQUZNJOQ-QRPNPIFTSA-N
XLogP2.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.56
LogP ≤ 52.02
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 (1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride (CID 153315417) is (1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride is CC(C)[C@H](N)B1OC(C)(C)C(C)(C)O1.Cl.
What is the InChIKey of (1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride?
The InChIKey is DNNYZPSQUZNJOQ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H22BNO2.ClH/c1-7(2)8(12)11-13-9(3,4)10(5,6)14-11;/h7-8H,12H2,1-6H3;1H/t8-;/m0./s1.
What are the key properties of (1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride?
(1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride has a molecular weight of 235.56 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine;hydrochloride is sourced from PubChem (CID 153315417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).