6-butoxy-N-tert-butylpyridin-2-amine

C13H22N2O — CID 115498673

IUPAC6-butoxy-N-tert-butylpyridin-2-amine
SMILESCCCCOc1cccc(NC(C)(C)C)n1
InChIInChI=1S/C13H22N2O/c1-5-6-10-16-12-9-7-8-11(14-12)15-13(2,3)4/h7-9H,5-6,10H2,1-4H3,(H,14,15)
InChIKeyKWFBLZSWZLTZRX-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.47
Rot. Bonds5

About 6-butoxy-N-tert-butylpyridin-2-amine

6-butoxy-N-tert-butylpyridin-2-amine (PubChem CID 115498673) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 6-butoxy-N-tert-butylpyridin-2-amine.

Molecular Properties

Compound Name6-butoxy-N-tert-butylpyridin-2-amine
PubChem CID115498673
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name6-butoxy-N-tert-butylpyridin-2-amine
SMILESCCCCOc1cccc(NC(C)(C)C)n1
InChIInChI=1S/C13H22N2O/c1-5-6-10-16-12-9-7-8-11(14-12)15-13(2,3)4/h7-9H,5-6,10H2,1-4H3,(H,14,15)
InChIKeyKWFBLZSWZLTZRX-UHFFFAOYSA-N
XLogP3.47
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-butoxy-N-tert-butylpyridin-2-amine?
The IUPAC name of 6-butoxy-N-tert-butylpyridin-2-amine (CID 115498673) is 6-butoxy-N-tert-butylpyridin-2-amine.
What is the SMILES notation for 6-butoxy-N-tert-butylpyridin-2-amine?
The canonical SMILES for 6-butoxy-N-tert-butylpyridin-2-amine is CCCCOc1cccc(NC(C)(C)C)n1.
What is the InChIKey of 6-butoxy-N-tert-butylpyridin-2-amine?
The InChIKey is KWFBLZSWZLTZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-5-6-10-16-12-9-7-8-11(14-12)15-13(2,3)4/h7-9H,5-6,10H2,1-4H3,(H,14,15).
What are the key properties of 6-butoxy-N-tert-butylpyridin-2-amine?
6-butoxy-N-tert-butylpyridin-2-amine has a molecular weight of 222.33 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-tert-butylpyridin-2-amine is sourced from PubChem (CID 115498673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).