N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C19H25BN2O2 — CID 44755165

IUPACN-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCN(Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C19H25BN2O2/c1-18(2)19(3,4)24-20(23-18)16-11-12-17(21-13-16)22(5)14-15-9-7-6-8-10-15/h6-13H,14H2,1-5H3
InChIKeyBUXNUAOULVWKLP-UHFFFAOYSA-N
MW324.23 g/mol
LogP3.02
Rot. Bonds4

About N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 44755165) has the molecular formula C19H25BN2O2 and a molecular weight of 324.23 g/mol. Its IUPAC name is N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID44755165
Molecular FormulaC19H25BN2O2
Molecular Weight324.23 g/mol
Exact Mass324.20
IUPAC NameN-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCN(Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1
InChIInChI=1S/C19H25BN2O2/c1-18(2)19(3,4)24-20(23-18)16-11-12-17(21-13-16)22(5)14-15-9-7-6-8-10-15/h6-13H,14H2,1-5H3
InChIKeyBUXNUAOULVWKLP-UHFFFAOYSA-N
XLogP3.02
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 44755165) is N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CN(Cc1ccccc1)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1.
What is the InChIKey of N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is BUXNUAOULVWKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BN2O2/c1-18(2)19(3,4)24-20(23-18)16-11-12-17(21-13-16)22(5)14-15-9-7-6-8-10-15/h6-13H,14H2,1-5H3.
What are the key properties of N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 324.23 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 44755165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).