(pentylamino)methoxyboronic acid

C6H16BNO3 — CID 175525802

IUPAC(pentylamino)methoxyboronic acid
SMILESCCCCCNCOB(O)O
InChIInChI=1S/C6H16BNO3/c1-2-3-4-5-8-6-11-7(9)10/h8-10H,2-6H2,1H3
InChIKeyYOQPSUZIFMFGNU-UHFFFAOYSA-N
MW161.01 g/mol
LogP-0.29
Rot. Bonds7

About (pentylamino)methoxyboronic acid

(pentylamino)methoxyboronic acid (PubChem CID 175525802) has the molecular formula C6H16BNO3 and a molecular weight of 161.01 g/mol. Its IUPAC name is (pentylamino)methoxyboronic acid.

Molecular Properties

Compound Name(pentylamino)methoxyboronic acid
PubChem CID175525802
Molecular FormulaC6H16BNO3
Molecular Weight161.01 g/mol
Exact Mass161.12
IUPAC Name(pentylamino)methoxyboronic acid
SMILESCCCCCNCOB(O)O
InChIInChI=1S/C6H16BNO3/c1-2-3-4-5-8-6-11-7(9)10/h8-10H,2-6H2,1H3
InChIKeyYOQPSUZIFMFGNU-UHFFFAOYSA-N
XLogP-0.29
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.01
LogP ≤ 5-0.29
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butylaminomethoxyboronic acid
CID 175525808
8-(undecylamino)octan-1-ol
CID 139305047
nonadecoxyboronic acid
CID 154133434
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-pentylpentan-1-amine;sulfane
CID 173223078
N-pentylpentan-1-amine;hydrochloride
CID 520044
N,N'-diheptylhexane-1,6-diamine
CID 3028571
(pentylamino)methyl propanoate
CID 141341777
4-[(pentylamino)methoxy]phenol
CID 144616890

Frequently Asked Questions

What is the IUPAC name of (pentylamino)methoxyboronic acid?
The IUPAC name of (pentylamino)methoxyboronic acid (CID 175525802) is (pentylamino)methoxyboronic acid.
What is the SMILES notation for (pentylamino)methoxyboronic acid?
The canonical SMILES for (pentylamino)methoxyboronic acid is CCCCCNCOB(O)O.
What is the InChIKey of (pentylamino)methoxyboronic acid?
The InChIKey is YOQPSUZIFMFGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16BNO3/c1-2-3-4-5-8-6-11-7(9)10/h8-10H,2-6H2,1H3.
What are the key properties of (pentylamino)methoxyboronic acid?
(pentylamino)methoxyboronic acid has a molecular weight of 161.01 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (pentylamino)methoxyboronic acid is sourced from PubChem (CID 175525802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).