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

C19H31B2NO4 — CID 132579515

IUPACN-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine
SMILESCC1(C)OB(N(Cc2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C19H31B2NO4/c1-16(2)17(3,4)24-20(23-16)22(14-15-12-10-9-11-13-15)21-25-18(5,6)19(7,8)26-21/h9-13H,14H2,1-8H3
InChIKeyIZMKCLVLNZMRMW-UHFFFAOYSA-N
MW359.08 g/mol
LogP3.67
Rot. Bonds4

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

N-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine (PubChem CID 132579515) has the molecular formula C19H31B2NO4 and a molecular weight of 359.08 g/mol. Its IUPAC name is N-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine.

Molecular Properties

Compound NameN-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine
PubChem CID132579515
Molecular FormulaC19H31B2NO4
Molecular Weight359.08 g/mol
Exact Mass359.24
IUPAC NameN-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine
SMILESCC1(C)OB(N(Cc2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C
InChIInChI=1S/C19H31B2NO4/c1-16(2)17(3,4)24-20(23-16)22(14-15-12-10-9-11-13-15)21-25-18(5,6)19(7,8)26-21/h9-13H,14H2,1-8H3
InChIKeyIZMKCLVLNZMRMW-UHFFFAOYSA-N
XLogP3.67
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.08
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 68749187
(Z)-N-benzyl-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 102294588
4,4,5,5-tetramethyl-2-(3-methyl-1-phenylbutan-2-yl)-1,3,2-dioxaborolane
CID 102424463
(E)-N,N-dibenzyl-2,3-diphenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 156693279
2-(5-benzylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 169094948
4,4,5,5-tetramethyl-2-[4-(2-phenylethyl)phenyl]-1,3,2-dioxaborolane
CID 102447774
4,4,5,5-tetramethyl-2-[4-phenyl-1,1-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-en-2-yl]-1,3,2-dioxaborolane
CID 132917896
1-phenyl-N,N-bis(trimethylsilyl)methanamine
CID 616728
4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(trimethylsilylmethyl)-1,3,2-dioxaborolan-2-amine
CID 102587208
(E)-N-benzyl-N-prop-2-ynyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 102079733
N,N-dibenzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 138984460
4,4,5,5-tetramethyl-2-[(Z)-2-methyl-3-phenylprop-1-enyl]-1,3,2-dioxaborolane
CID 102483613

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine?
The IUPAC name of N-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine (CID 132579515) is N-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine.
What is the SMILES notation for N-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine?
The canonical SMILES for N-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine is CC1(C)OB(N(Cc2ccccc2)B2OC(C)(C)C(C)(C)O2)OC1(C)C.
What is the InChIKey of N-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine?
The InChIKey is IZMKCLVLNZMRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31B2NO4/c1-16(2)17(3,4)24-20(23-16)22(14-15-12-10-9-11-13-15)21-25-18(5,6)19(7,8)26-21/h9-13H,14H2,1-8H3.
What are the key properties of N-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine?
N-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine has a molecular weight of 359.08 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,4,5,5-tetramethyl-N-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolan-2-amine is sourced from PubChem (CID 132579515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).