N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine

C15H25BN2O3 — CID 71302193

IUPACN,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C15H25BN2O3/c1-14(2)15(3,4)21-16(20-14)12-7-8-17-13(11-12)19-10-9-18(5)6/h7-8,11H,9-10H2,1-6H3
InChIKeyVNJOVSVHMWPGNV-UHFFFAOYSA-N
MW292.19 g/mol
LogP1.32
Rot. Bonds5

About N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine

N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine (PubChem CID 71302193) has the molecular formula C15H25BN2O3 and a molecular weight of 292.19 g/mol. Its IUPAC name is N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine
PubChem CID71302193
Molecular FormulaC15H25BN2O3
Molecular Weight292.19 g/mol
Exact Mass292.20
IUPAC NameN,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine
SMILESCN(C)CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C15H25BN2O3/c1-14(2)15(3,4)21-16(20-14)12-7-8-17-13(11-12)19-10-9-18(5)6/h7-8,11H,9-10H2,1-6H3
InChIKeyVNJOVSVHMWPGNV-UHFFFAOYSA-N
XLogP1.32
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-N,N-dimethylethanamine
CID 59558599
2-(oxan-4-ylmethoxy)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;hydrochloride
CID 90156342
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
CID 71302196
N-[2-(dimethylamino)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carboxamide
CID 169024679
N,N-dimethyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-8-yl]oxyethanamine
CID 123996425
N,N-diethyl-2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine
CID 71304214
2-(2-bromoethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 66977689
2-[2-(dimethylamino)ethoxy]pyridine-4-carbothioamide
CID 61102474
2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyridin-4-amine
CID 71200725
2-[methyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]amino]ethanol
CID 161056043
ethane;2-methoxy-N-methyl-N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethyl]ethanamine
CID 145410141
2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoxalin-2-yl]oxyethanol
CID 142321842

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine (CID 71302193) is N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine is CN(C)CCOc1cc(B2OC(C)(C)C(C)(C)O2)ccn1.
What is the InChIKey of N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine?
The InChIKey is VNJOVSVHMWPGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BN2O3/c1-14(2)15(3,4)21-16(20-14)12-7-8-17-13(11-12)19-10-9-18(5)6/h7-8,11H,9-10H2,1-6H3.
What are the key properties of N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine?
N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine has a molecular weight of 292.19 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 71302193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).