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

C19H32BNO2 — CID 25149879

IUPACN-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine
SMILESCCC(CCCNCc1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H32BNO2/c1-6-17(20-22-18(2,3)19(4,5)23-20)13-10-14-21-15-16-11-8-7-9-12-16/h7-9,11-12,17,21H,6,10,13-15H2,1-5H3
InChIKeyFUEUDXFWGGYCAO-UHFFFAOYSA-N
MW317.28 g/mol
LogP4.43
Rot. Bonds8

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

N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine (PubChem CID 25149879) has the molecular formula C19H32BNO2 and a molecular weight of 317.28 g/mol. Its IUPAC name is N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine.

Molecular Properties

Compound NameN-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine
PubChem CID25149879
Molecular FormulaC19H32BNO2
Molecular Weight317.28 g/mol
Exact Mass317.25
IUPAC NameN-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine
SMILESCCC(CCCNCc1ccccc1)B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C19H32BNO2/c1-6-17(20-22-18(2,3)19(4,5)23-20)13-10-14-21-15-16-11-8-7-9-12-16/h7-9,11-12,17,21H,6,10,13-15H2,1-5H3
InChIKeyFUEUDXFWGGYCAO-UHFFFAOYSA-N
XLogP4.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl (4R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexanoate
CID 164681250
azane;N-benzylbutan-1-amine
CID 175388745
4,4,5,5-tetramethyl-2-pentan-3-yl-1,3,2-dioxaborolane
CID 56926967
4,4,5,5-tetramethyl-2-(5-phenylpentan-2-yl)-1,3,2-dioxaborolane
CID 165350697
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N'-benzyl-1-phenylbutane-1,4-diamine
CID 55204537
benzyl (3R)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)octanoate
CID 164681739
N-benzyl-N'-propan-2-ylpropane-1,3-diamine
CID 61150632
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-benzyl-4-[[4-(benzylamino)-2-methylbutyl]-dimethylsilyl]-3-methylbutan-1-amine
CID 10597713

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine?
The IUPAC name of N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine (CID 25149879) is N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine.
What is the SMILES notation for N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine?
The canonical SMILES for N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine is CCC(CCCNCc1ccccc1)B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine?
The InChIKey is FUEUDXFWGGYCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32BNO2/c1-6-17(20-22-18(2,3)19(4,5)23-20)13-10-14-21-15-16-11-8-7-9-12-16/h7-9,11-12,17,21H,6,10,13-15H2,1-5H3.
What are the key properties of N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine?
N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine has a molecular weight of 317.28 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)hexan-1-amine is sourced from PubChem (CID 25149879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).