6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine

C17H30BNO2 — CID 91490640

IUPAC6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine
SMILESCCC(C)C(C)C1=NCC(B2OC(C)(C)C(C)(C)O2)=CC1
InChIInChI=1S/C17H30BNO2/c1-8-12(2)13(3)15-10-9-14(11-19-15)18-20-16(4,5)17(6,7)21-18/h9,12-13H,8,10-11H2,1-7H3
InChIKeyWOAVMVWIKAKHQL-UHFFFAOYSA-N
MW291.24 g/mol
LogP4.07
Rot. Bonds4

About 6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine

6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine (PubChem CID 91490640) has the molecular formula C17H30BNO2 and a molecular weight of 291.24 g/mol. Its IUPAC name is 6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine.

Molecular Properties

Compound Name6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine
PubChem CID91490640
Molecular FormulaC17H30BNO2
Molecular Weight291.24 g/mol
Exact Mass291.24
IUPAC Name6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine
SMILESCCC(C)C(C)C1=NCC(B2OC(C)(C)C(C)(C)O2)=CC1
InChIInChI=1S/C17H30BNO2/c1-8-12(2)13(3)15-10-9-14(11-19-15)18-20-16(4,5)17(6,7)21-18/h9,12-13H,8,10-11H2,1-7H3
InChIKeyWOAVMVWIKAKHQL-UHFFFAOYSA-N
XLogP4.07
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine
CID 13491260
4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane
CID 163771511
2-(2-butan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 79662122
ethane;methanethiol;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]pentan-3-amine
CID 143146335
1-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-ol
CID 142308201
2-(2-ethoxy-6-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 156594171
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine
CID 175991227
5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrrole
CID 152792101
2-(cyclohepten-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 15486609
2-butan-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazole
CID 172644498
2-[4,4-bis(methoxymethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146744078
4,4,5,5-tetramethyl-2-(4-propylcyclohexen-1-yl)-1,3,2-dioxaborolane
CID 56737715

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine?
The IUPAC name of 6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine (CID 91490640) is 6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine.
What is the SMILES notation for 6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine?
The canonical SMILES for 6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine is CCC(C)C(C)C1=NCC(B2OC(C)(C)C(C)(C)O2)=CC1.
What is the InChIKey of 6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine?
The InChIKey is WOAVMVWIKAKHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BNO2/c1-8-12(2)13(3)15-10-9-14(11-19-15)18-20-16(4,5)17(6,7)21-18/h9,12-13H,8,10-11H2,1-7H3.
What are the key properties of 6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine?
6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine has a molecular weight of 291.24 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine is sourced from PubChem (CID 91490640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).