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

C10H22BNO2 — CID 142436774

IUPAC(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
SMILESCC(C)[C@@H](N)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H22BNO2/c1-7(2)8(12)11-13-9(3,4)10(5,6)14-11/h7-8H,12H2,1-6H3/t8-/m1/s1
InChIKeyMYYWOAUNNZWFSL-MRVPVSSYSA-N
MW199.10 g/mol
LogP1.60
Rot. Bonds2

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

(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine (PubChem CID 142436774) has the molecular formula C10H22BNO2 and a molecular weight of 199.10 g/mol. Its IUPAC name is (1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
PubChem CID142436774
Molecular FormulaC10H22BNO2
Molecular Weight199.10 g/mol
Exact Mass199.17
IUPAC Name(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
SMILESCC(C)[C@@H](N)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C10H22BNO2/c1-7(2)8(12)11-13-9(3,4)10(5,6)14-11/h7-8H,12H2,1-6H3/t8-/m1/s1
InChIKeyMYYWOAUNNZWFSL-MRVPVSSYSA-N
XLogP1.60
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 ≤ 51.60
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 (1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine?
The IUPAC name of (1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine (CID 142436774) is (1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine?
The canonical SMILES for (1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine is CC(C)[C@@H](N)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine?
The InChIKey is MYYWOAUNNZWFSL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22BNO2/c1-7(2)8(12)11-13-9(3,4)10(5,6)14-11/h7-8H,12H2,1-6H3/t8-/m1/s1.
What are the key properties of (1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine?
(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine has a molecular weight of 199.10 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine is sourced from PubChem (CID 142436774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).