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

C15H25BN2O2 — CID 76850061

IUPAC4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCc1cc(NC(C)C)ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H25BN2O2/c1-10(2)18-13-8-11(3)12(9-17-13)16-19-14(4,5)15(6,7)20-16/h8-10H,1-7H3,(H,17,18)
InChIKeyDODYEGOTDBPXKT-UHFFFAOYSA-N
MW276.19 g/mol
LogP2.51
Rot. Bonds3

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

4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 76850061) has the molecular formula C15H25BN2O2 and a molecular weight of 276.19 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID76850061
Molecular FormulaC15H25BN2O2
Molecular Weight276.19 g/mol
Exact Mass276.20
IUPAC Name4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCc1cc(NC(C)C)ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C15H25BN2O2/c1-10(2)18-13-8-11(3)12(9-17-13)16-19-14(4,5)15(6,7)20-16/h8-10H,1-7H3,(H,17,18)
InChIKeyDODYEGOTDBPXKT-UHFFFAOYSA-N
XLogP2.51
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 76850061) is 4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is Cc1cc(NC(C)C)ncc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is DODYEGOTDBPXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BN2O2/c1-10(2)18-13-8-11(3)12(9-17-13)16-19-14(4,5)15(6,7)20-16/h8-10H,1-7H3,(H,17,18).
What are the key properties of 4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 276.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 76850061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).