4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C11H19N3O2 — CID 116686331

IUPAC4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNCCCN)c1O
InChIInChI=1S/C11H19N3O2/c1-8-11(16)10(6-13-4-2-3-12)9(7-15)5-14-8/h5,13,15-16H,2-4,6-7,12H2,1H3
InChIKeyREFUWYVPOSUMOY-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.03
Rot. Bonds6

About 4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 116686331) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID116686331
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNCCCN)c1O
InChIInChI=1S/C11H19N3O2/c1-8-11(16)10(6-13-4-2-3-12)9(7-15)5-14-8/h5,13,15-16H,2-4,6-7,12H2,1H3
InChIKeyREFUWYVPOSUMOY-UHFFFAOYSA-N
XLogP0.03
TPSA91.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 116686331) is 4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CNCCCN)c1O.
What is the InChIKey of 4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is REFUWYVPOSUMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-11(16)10(6-13-4-2-3-12)9(7-15)5-14-8/h5,13,15-16H,2-4,6-7,12H2,1H3.
What are the key properties of 4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 225.29 g/mol, XLogP of 0.03, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminopropylamino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 116686331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).