(E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine

C11H22BNO2 — CID 67227822

IUPAC(E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
SMILESCN(C)C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H22BNO2/c1-10(2)11(3,4)15-12(14-10)8-7-9-13(5)6/h7-8H,9H2,1-6H3/b8-7+
InChIKeyUJSRLOVNMFLVSL-BQYQJAHWSA-N
MW211.11 g/mol
LogP1.74
Rot. Bonds3

About (E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine

(E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine (PubChem CID 67227822) has the molecular formula C11H22BNO2 and a molecular weight of 211.11 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
PubChem CID67227822
Molecular FormulaC11H22BNO2
Molecular Weight211.11 g/mol
Exact Mass211.17
IUPAC Name(E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
SMILESCN(C)C/C=C/B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H22BNO2/c1-10(2)11(3,4)15-12(14-10)8-7-9-13(5)6/h7-8H,9H2,1-6H3/b8-7+
InChIKeyUJSRLOVNMFLVSL-BQYQJAHWSA-N
XLogP1.74
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 51.74
H-Bond Donors ≤ 50
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 (E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine?
The IUPAC name of (E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine (CID 67227822) is (E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine is CN(C)C/C=C/B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of (E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine?
The InChIKey is UJSRLOVNMFLVSL-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22BNO2/c1-10(2)11(3,4)15-12(14-10)8-7-9-13(5)6/h7-8H,9H2,1-6H3/b8-7+.
What are the key properties of (E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine?
(E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine has a molecular weight of 211.11 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 67227822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).