(5-amino-8-methoxyoctyl)boronic acid

C9H22BNO3 — CID 88577036

IUPAC(5-amino-8-methoxyoctyl)boronic acid
SMILESCOCCCC(N)CCCCB(O)O
InChIInChI=1S/C9H22BNO3/c1-14-8-4-6-9(11)5-2-3-7-10(12)13/h9,12-13H,2-8,11H2,1H3
InChIKeyMLODXAXNDCUAQY-UHFFFAOYSA-N
MW203.09 g/mol
LogP0.38
Rot. Bonds9

About (5-amino-8-methoxyoctyl)boronic acid

(5-amino-8-methoxyoctyl)boronic acid (PubChem CID 88577036) has the molecular formula C9H22BNO3 and a molecular weight of 203.09 g/mol. Its IUPAC name is (5-amino-8-methoxyoctyl)boronic acid.

Molecular Properties

Compound Name(5-amino-8-methoxyoctyl)boronic acid
PubChem CID88577036
Molecular FormulaC9H22BNO3
Molecular Weight203.09 g/mol
Exact Mass203.17
IUPAC Name(5-amino-8-methoxyoctyl)boronic acid
SMILESCOCCCC(N)CCCCB(O)O
InChIInChI=1S/C9H22BNO3/c1-14-8-4-6-9(11)5-2-3-7-10(12)13/h9,12-13H,2-8,11H2,1H3
InChIKeyMLODXAXNDCUAQY-UHFFFAOYSA-N
XLogP0.38
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.09
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

1-methoxyheptan-4-amine
CID 43370439
1-methoxy-7-methyloctan-4-amine
CID 62603924
[5-amino-7-[bis(2-aminoethyl)amino]heptyl]boronic acid
CID 88577022
1-amino-4-methoxybutan-1-ol
CID 57141832
5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
CID 81101412
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597
(2S)-5-methoxypentan-2-amine
CID 93315322
[(5R)-5-amino-7-[ethyl(2-hydroxyethyl)amino]heptyl]boronic acid;carbon dioxide
CID 158457842
8-methoxy-2-methyloctan-3-amine
CID 64504624
2-amino-5-methoxypentanoic acid
CID 18361135
(5-amino-9-phenylnonyl)boronic acid;carbon dioxide
CID 158139635

Frequently Asked Questions

What is the IUPAC name of (5-amino-8-methoxyoctyl)boronic acid?
The IUPAC name of (5-amino-8-methoxyoctyl)boronic acid (CID 88577036) is (5-amino-8-methoxyoctyl)boronic acid.
What is the SMILES notation for (5-amino-8-methoxyoctyl)boronic acid?
The canonical SMILES for (5-amino-8-methoxyoctyl)boronic acid is COCCCC(N)CCCCB(O)O.
What is the InChIKey of (5-amino-8-methoxyoctyl)boronic acid?
The InChIKey is MLODXAXNDCUAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22BNO3/c1-14-8-4-6-9(11)5-2-3-7-10(12)13/h9,12-13H,2-8,11H2,1H3.
What are the key properties of (5-amino-8-methoxyoctyl)boronic acid?
(5-amino-8-methoxyoctyl)boronic acid has a molecular weight of 203.09 g/mol, XLogP of 0.38, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-8-methoxyoctyl)boronic acid is sourced from PubChem (CID 88577036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).