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

C15H25BN2O2 — CID 91828107

IUPAC6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCCCNc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)n1
InChIInChI=1S/C15H25BN2O2/c1-7-10-17-13-9-8-12(11(2)18-13)16-19-14(3,4)15(5,6)20-16/h8-9H,7,10H2,1-6H3,(H,17,18)
InChIKeyNPPFFHQNGUFYKV-UHFFFAOYSA-N
MW276.19 g/mol
LogP2.51
Rot. Bonds4

About 6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 91828107) has the molecular formula C15H25BN2O2 and a molecular weight of 276.19 g/mol. Its IUPAC name is 6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
PubChem CID91828107
Molecular FormulaC15H25BN2O2
Molecular Weight276.19 g/mol
Exact Mass276.20
IUPAC Name6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
SMILESCCCNc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)n1
InChIInChI=1S/C15H25BN2O2/c1-7-10-17-13-9-8-12(11(2)18-13)16-19-14(3,4)15(5,6)20-16/h8-9H,7,10H2,1-6H3,(H,17,18)
InChIKeyNPPFFHQNGUFYKV-UHFFFAOYSA-N
XLogP2.51
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

CID 2756555
CID 2756555
CID 45785707
CID 45785707
CID 49760417
CID 49760417
CID 16217946
CID 16217946
CID 16217948
CID 16217948
CID 17750202
CID 17750202
CID 43811067
CID 43811067
CID 44755164
CID 44755164
CID 44755168
CID 44755168
CID 45792660
CID 45792660
CID 49760430
CID 49760430
CID 51072189
CID 51072189

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The IUPAC name of 6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 91828107) is 6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is CCCNc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)n1.
What is the InChIKey of 6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
The InChIKey is NPPFFHQNGUFYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BN2O2/c1-7-10-17-13-9-8-12(11(2)18-13)16-19-14(3,4)15(5,6)20-16/h8-9H,7,10H2,1-6H3,(H,17,18).
What are the key properties of 6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?
6-methyl-N-propyl-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, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 91828107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).