N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine

C19H32BNO2 — CID 132503896

IUPACN,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine
SMILESCCC(CCN(C)C)(B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C19H32BNO2/c1-8-19(14-15-21(6)7,16-12-10-9-11-13-16)20-22-17(2,3)18(4,5)23-20/h9-13H,8,14-15H2,1-7H3
InChIKeyRQLXTCDEUVYRKN-UHFFFAOYSA-N
MW317.28 g/mol
LogP3.92
Rot. Bonds6

About N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine

N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine (PubChem CID 132503896) has the molecular formula C19H32BNO2 and a molecular weight of 317.28 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine
PubChem CID132503896
Molecular FormulaC19H32BNO2
Molecular Weight317.28 g/mol
Exact Mass317.25
IUPAC NameN,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine
SMILESCCC(CCN(C)C)(B1OC(C)(C)C(C)(C)O1)c1ccccc1
InChIInChI=1S/C19H32BNO2/c1-8-19(14-15-21(6)7,16-12-10-9-11-13-16)20-22-17(2,3)18(4,5)23-20/h9-13H,8,14-15H2,1-7H3
InChIKeyRQLXTCDEUVYRKN-UHFFFAOYSA-N
XLogP3.92
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 53.92
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

2-Phenyl-1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanamine
CID 13168364
4,4,5,5-Tetramethyl-2-(4-nonylphenyl)-1,3,2-dioxaborolane
CID 57391611
2-(4-Heptylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 57394766
4,4,5,5-Tetramethyl-2-(4-pentylphenyl)-1,3,2-dioxaborolane
CID 57396518
4,4,5,5-Tetramethyl-2-(4-undecylphenyl)-1,3,2-dioxaborolane
CID 57398310
2-(N,N-Dimethylaminomethyl)phenylboronic acid, pinacol ester
CID 46739231
4,4,5,5-Tetramethyl-2-(3-pentylphenyl)-1,3,2-dioxaborolane
CID 57403489
4-((N,N-Dimethylamino)methyl)phenylboronic acid pinacol ester
CID 3460459
3-(N,N-Dimethylaminomethyl)phenylboronic acid, pinacol ester
CID 3803620
1-{[4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}piperidine
CID 18525779
1-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidine
CID 18525872
Dimethyl({[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl})amine hydrochloride
CID 44118821

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine?
The IUPAC name of N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine (CID 132503896) is N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine?
The canonical SMILES for N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine is CCC(CCN(C)C)(B1OC(C)(C)C(C)(C)O1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine?
The InChIKey is RQLXTCDEUVYRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BNO2/c1-8-19(14-15-21(6)7,16-12-10-9-11-13-16)20-22-17(2,3)18(4,5)23-20/h9-13H,8,14-15H2,1-7H3.
What are the key properties of N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine?
N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine has a molecular weight of 317.28 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pentan-1-amine is sourced from PubChem (CID 132503896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).