[5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine

C11H17BN2O2 — CID 71041926

IUPAC[5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine
SMILESCC1OB(c2cncc(CN)c2)OC1(C)C
InChIInChI=1S/C11H17BN2O2/c1-8-11(2,3)16-12(15-8)10-4-9(5-13)6-14-7-10/h4,6-8H,5,13H2,1-3H3
InChIKeyLWEOGRTVXMSKAB-UHFFFAOYSA-N
MW220.08 g/mol
LogP0.45
Rot. Bonds2

About [5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine

[5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine (PubChem CID 71041926) has the molecular formula C11H17BN2O2 and a molecular weight of 220.08 g/mol. Its IUPAC name is [5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine
PubChem CID71041926
Molecular FormulaC11H17BN2O2
Molecular Weight220.08 g/mol
Exact Mass220.14
IUPAC Name[5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine
SMILESCC1OB(c2cncc(CN)c2)OC1(C)C
InChIInChI=1S/C11H17BN2O2/c1-8-11(2,3)16-12(15-8)10-4-9(5-13)6-14-7-10/h4,6-8H,5,13H2,1-3H3
InChIKeyLWEOGRTVXMSKAB-UHFFFAOYSA-N
XLogP0.45
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.08
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 144746462
5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazole
CID 91927727
2-chloro-4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 143480311
N-methyl-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetamide
CID 59619737
4,4,5-trimethyl-2-(3-phenylphenyl)-1,3,2-dioxaborolane
CID 158406399
ethane;N-[3-ethenyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]-N-methylthiohydroxylamine
CID 143020133
methyl 2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]acetate
CID 91052509
N-methyl-3-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 145069362
azane;bromobenzene;4,4,5-trimethyl-2-phenyl-1,3,2-dioxaborolane
CID 159565989
3-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 123962210
2-ethenyl-1-methyl-4-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrrole
CID 89050639
1-ethyl-5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 70292940

Frequently Asked Questions

What is the IUPAC name of [5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine?
The IUPAC name of [5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine (CID 71041926) is [5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine is CC1OB(c2cncc(CN)c2)OC1(C)C.
What is the InChIKey of [5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine?
The InChIKey is LWEOGRTVXMSKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN2O2/c1-8-11(2,3)16-12(15-8)10-4-9(5-13)6-14-7-10/h4,6-8H,5,13H2,1-3H3.
What are the key properties of [5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine?
[5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine has a molecular weight of 220.08 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanamine is sourced from PubChem (CID 71041926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).