[2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid

C10H17BN2O2 — CID 67452971

IUPAC[2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid
SMILESCN(C)CCCc1cc(B(O)O)ccn1
InChIInChI=1S/C10H17BN2O2/c1-13(2)7-3-4-10-8-9(11(14)15)5-6-12-10/h5-6,8,14-15H,3-4,7H2,1-2H3
InChIKeyDAXAZWRKEWQHON-UHFFFAOYSA-N
MW208.07 g/mol
LogP-0.74
Rot. Bonds5

About [2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid

[2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid (PubChem CID 67452971) has the molecular formula C10H17BN2O2 and a molecular weight of 208.07 g/mol. Its IUPAC name is [2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid.

Molecular Properties

Compound Name[2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid
PubChem CID67452971
Molecular FormulaC10H17BN2O2
Molecular Weight208.07 g/mol
Exact Mass208.14
IUPAC Name[2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid
SMILESCN(C)CCCc1cc(B(O)O)ccn1
InChIInChI=1S/C10H17BN2O2/c1-13(2)7-3-4-10-8-9(11(14)15)5-6-12-10/h5-6,8,14-15H,3-4,7H2,1-2H3
InChIKeyDAXAZWRKEWQHON-UHFFFAOYSA-N
XLogP-0.74
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid?
The IUPAC name of [2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid (CID 67452971) is [2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid.
What is the SMILES notation for [2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid?
The canonical SMILES for [2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid is CN(C)CCCc1cc(B(O)O)ccn1.
What is the InChIKey of [2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid?
The InChIKey is DAXAZWRKEWQHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O2/c1-13(2)7-3-4-10-8-9(11(14)15)5-6-12-10/h5-6,8,14-15H,3-4,7H2,1-2H3.
What are the key properties of [2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid?
[2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid has a molecular weight of 208.07 g/mol, XLogP of -0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylamino)propyl]-4-pyridinyl]boronic acid is sourced from PubChem (CID 67452971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).