2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine

C17H40BNO2Si2 — CID 13491260

IUPAC2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine
SMILESCCC(C)C(B1OC(C)(C)C(C)(C)O1)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H40BNO2Si2/c1-13-14(2)15(19(22(7,8)9)23(10,11)12)18-20-16(3,4)17(5,6)21-18/h14-15H,13H2,1-12H3
InChIKeyUVKNIXKYFIFYDE-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.00
Rot. Bonds6

About 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine

2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine (PubChem CID 13491260) has the molecular formula C17H40BNO2Si2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine
PubChem CID13491260
Molecular FormulaC17H40BNO2Si2
Molecular Weight357.50 g/mol
Exact Mass357.27
IUPAC Name2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine
SMILESCCC(C)C(B1OC(C)(C)C(C)(C)O1)N([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C17H40BNO2Si2/c1-13-14(2)15(19(22(7,8)9)23(10,11)12)18-20-16(3,4)17(5,6)21-18/h14-15H,13H2,1-12H3
InChIKeyUVKNIXKYFIFYDE-UHFFFAOYSA-N
XLogP5.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4,5,5-tetramethyl-2-[(3R)-3-methylpentan-2-yl]-1,3,2-dioxaborolane
CID 163771511
4,4,5,5-tetramethyl-2-pentan-3-yl-1,3,2-dioxaborolane
CID 56926967
6-(3-methylpentan-2-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyridine
CID 91490640
2-butan-2-yloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 70947330
ethyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate
CID 162409571
2-(4-butan-2-yl-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 144892826
2-(1-bromoethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 10399156
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyl]-1,3,2-dioxaborolane;4,4,5,5-tetramethyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-1,3,2-dioxaborolane
CID 164967588
4,4,5,5-tetramethyl-2-[(2S)-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-2-yl]-1,3,2-dioxaborolane
CID 170898250
4,4,5,5-tetramethyl-2-[(2R)-octan-2-yl]-1,3,2-dioxaborolane
CID 102188713
4,4,5,5-tetramethyl-2-[1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]butyl]-1,3,2-dioxaborolane
CID 164680836
(1S)-2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propan-1-amine
CID 142436774

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine?
The IUPAC name of 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine (CID 13491260) is 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine.
What is the SMILES notation for 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine?
The canonical SMILES for 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine is CCC(C)C(B1OC(C)(C)C(C)(C)O1)N([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine?
The InChIKey is UVKNIXKYFIFYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H40BNO2Si2/c1-13-14(2)15(19(22(7,8)9)23(10,11)12)18-20-16(3,4)17(5,6)21-18/h14-15H,13H2,1-12H3.
What are the key properties of 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine?
2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine has a molecular weight of 357.50 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N,N-bis(trimethylsilyl)butan-1-amine is sourced from PubChem (CID 13491260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).