2-(aminomethyl)-1,5-dibutoxypyridin-4-one

C14H24N2O3 — CID 67963607

IUPAC2-(aminomethyl)-1,5-dibutoxypyridin-4-one
SMILESCCCCOc1cn(OCCCC)c(CN)cc1=O
InChIInChI=1S/C14H24N2O3/c1-3-5-7-18-14-11-16(19-8-6-4-2)12(10-15)9-13(14)17/h9,11H,3-8,10,15H2,1-2H3
InChIKeyOAGJEHVAKOHKJE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.71
Rot. Bonds9

About 2-(aminomethyl)-1,5-dibutoxypyridin-4-one

2-(aminomethyl)-1,5-dibutoxypyridin-4-one (PubChem CID 67963607) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(aminomethyl)-1,5-dibutoxypyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-1,5-dibutoxypyridin-4-one
PubChem CID67963607
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-(aminomethyl)-1,5-dibutoxypyridin-4-one
SMILESCCCCOc1cn(OCCCC)c(CN)cc1=O
InChIInChI=1S/C14H24N2O3/c1-3-5-7-18-14-11-16(19-8-6-4-2)12(10-15)9-13(14)17/h9,11H,3-8,10,15H2,1-2H3
InChIKeyOAGJEHVAKOHKJE-UHFFFAOYSA-N
XLogP1.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
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 2-(aminomethyl)-1,5-dibutoxypyridin-4-one?
The IUPAC name of 2-(aminomethyl)-1,5-dibutoxypyridin-4-one (CID 67963607) is 2-(aminomethyl)-1,5-dibutoxypyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-1,5-dibutoxypyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-1,5-dibutoxypyridin-4-one is CCCCOc1cn(OCCCC)c(CN)cc1=O.
What is the InChIKey of 2-(aminomethyl)-1,5-dibutoxypyridin-4-one?
The InChIKey is OAGJEHVAKOHKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-5-7-18-14-11-16(19-8-6-4-2)12(10-15)9-13(14)17/h9,11H,3-8,10,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1,5-dibutoxypyridin-4-one?
2-(aminomethyl)-1,5-dibutoxypyridin-4-one has a molecular weight of 268.36 g/mol, XLogP of 1.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,5-dibutoxypyridin-4-one is sourced from PubChem (CID 67963607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).