[2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine

C15H26N2O — CID 113381656

IUPAC[2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine
SMILESCC(C)C(C)Oc1cc(CN)cc(C(C)(C)C)n1
InChIInChI=1S/C15H26N2O/c1-10(2)11(3)18-14-8-12(9-16)7-13(17-14)15(4,5)6/h7-8,10-11H,9,16H2,1-6H3
InChIKeyIOYLWSIZBYTPFP-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.26
Rot. Bonds4

About [2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine

[2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine (PubChem CID 113381656) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is [2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine
PubChem CID113381656
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name[2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine
SMILESCC(C)C(C)Oc1cc(CN)cc(C(C)(C)C)n1
InChIInChI=1S/C15H26N2O/c1-10(2)11(3)18-14-8-12(9-16)7-13(17-14)15(4,5)6/h7-8,10-11H,9,16H2,1-6H3
InChIKeyIOYLWSIZBYTPFP-UHFFFAOYSA-N
XLogP3.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine (CID 113381656) is [2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine is CC(C)C(C)Oc1cc(CN)cc(C(C)(C)C)n1.
What is the InChIKey of [2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine?
The InChIKey is IOYLWSIZBYTPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-10(2)11(3)18-14-8-12(9-16)7-13(17-14)15(4,5)6/h7-8,10-11H,9,16H2,1-6H3.
What are the key properties of [2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine?
[2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine has a molecular weight of 250.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 113381656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).