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

C12H22BN3O2 — CID 172644340

IUPACN,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine
SMILESCN(C)c1nc(B2OC(C)(C)C(C)(C)O2)cn1C
InChIInChI=1S/C12H22BN3O2/c1-11(2)12(3,4)18-13(17-11)9-8-16(7)10(14-9)15(5)6/h8H,1-7H3
InChIKeyUBZGKMHUAJFNBE-UHFFFAOYSA-N
MW251.14 g/mol
LogP0.79
Rot. Bonds2

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

N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine (PubChem CID 172644340) has the molecular formula C12H22BN3O2 and a molecular weight of 251.14 g/mol. Its IUPAC name is N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine
PubChem CID172644340
Molecular FormulaC12H22BN3O2
Molecular Weight251.14 g/mol
Exact Mass251.18
IUPAC NameN,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine
SMILESCN(C)c1nc(B2OC(C)(C)C(C)(C)O2)cn1C
InChIInChI=1S/C12H22BN3O2/c1-11(2)12(3,4)18-13(17-11)9-8-16(7)10(14-9)15(5)6/h8H,1-7H3
InChIKeyUBZGKMHUAJFNBE-UHFFFAOYSA-N
XLogP0.79
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.14
LogP ≤ 50.79
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

1-cyclobutyl-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine
CID 172644243
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)imidazole
CID 172644476
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[4-(trifluoromethyl)phenyl]imidazole
CID 172644360
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-oxazol-2-amine
CID 170918176
2-methoxy-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-4-one
CID 153465251
5-methoxy-1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 138991178
trimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazol-1-yl]silane
CID 172644563
2-fluoro-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
CID 172645063
1-cyclobutyl-2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
CID 172644196
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]pyridine
CID 68957537
2-fluoro-1-(4-methoxyphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
CID 172644621
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thieno[2,3-b]pyridine
CID 130115418

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine?
The IUPAC name of N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine (CID 172644340) is N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine.
What is the SMILES notation for N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine?
The canonical SMILES for N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine is CN(C)c1nc(B2OC(C)(C)C(C)(C)O2)cn1C.
What is the InChIKey of N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine?
The InChIKey is UBZGKMHUAJFNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BN3O2/c1-11(2)12(3,4)18-13(17-11)9-8-16(7)10(14-9)15(5)6/h8H,1-7H3.
What are the key properties of N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine?
N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine has a molecular weight of 251.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazol-2-amine is sourced from PubChem (CID 172644340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).