N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine

C14H23BN2O2 — CID 151093134

IUPACN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine
SMILESCN(C)c1cc(B2OCC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C14H23BN2O2/c1-13(2)10-18-15(19-14(13,3)4)11-7-8-16-12(9-11)17(5)6/h7-9H,10H2,1-6H3
InChIKeyMMNZADODEOEDLL-UHFFFAOYSA-N
MW262.16 g/mol
LogP1.69
Rot. Bonds2

About N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine

N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine (PubChem CID 151093134) has the molecular formula C14H23BN2O2 and a molecular weight of 262.16 g/mol. Its IUPAC name is N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine
PubChem CID151093134
Molecular FormulaC14H23BN2O2
Molecular Weight262.16 g/mol
Exact Mass262.19
IUPAC NameN,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine
SMILESCN(C)c1cc(B2OCC(C)(C)C(C)(C)O2)ccn1
InChIInChI=1S/C14H23BN2O2/c1-13(2)10-18-15(19-14(13,3)4)11-7-8-16-12(9-11)17(5)6/h7-9H,10H2,1-6H3
InChIKeyMMNZADODEOEDLL-UHFFFAOYSA-N
XLogP1.69
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine with MolForge

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Related Compounds

2-phenyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)-2-pyridinyl]acetamide
CID 175277581
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine
CID 149161821
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)phenyl]isoquinoline
CID 150038387
2-(1-benzothiophen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborinane
CID 150289104
ethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamic acid
CID 67073898
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)-2,3-dihydroinden-1-one
CID 151501634
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
CID 148899735
N,N-dimethyl-2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]oxy]ethanamine
CID 71302193
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)-1,2-oxazole
CID 164884579
N-methyl-2-pyridin-3-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)quinazolin-4-amine
CID 174708031
6-[fluoro(phosphanyl)methyl]-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
CID 174180367
3,6-diethyl-9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)phenyl]carbazole
CID 174759521

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine?
The IUPAC name of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine (CID 151093134) is N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine is CN(C)c1cc(B2OCC(C)(C)C(C)(C)O2)ccn1.
What is the InChIKey of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine?
The InChIKey is MMNZADODEOEDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BN2O2/c1-13(2)10-18-15(19-14(13,3)4)11-7-8-16-12(9-11)17(5)6/h7-9H,10H2,1-6H3.
What are the key properties of N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine?
N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine has a molecular weight of 262.16 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborinan-2-yl)pyridin-2-amine is sourced from PubChem (CID 151093134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).