[2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine

C16H28N2O2 — CID 106667369

IUPAC[2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine
SMILESCOC(C)(C)CCOc1cc(CN)cc(C(C)(C)C)n1
InChIInChI=1S/C16H28N2O2/c1-15(2,3)13-9-12(11-17)10-14(18-13)20-8-7-16(4,5)19-6/h9-10H,7-8,11,17H2,1-6H3
InChIKeyIRTHLQQBWFOCEU-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.03
Rot. Bonds6

About [2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine

[2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine (PubChem CID 106667369) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine
PubChem CID106667369
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name[2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine
SMILESCOC(C)(C)CCOc1cc(CN)cc(C(C)(C)C)n1
InChIInChI=1S/C16H28N2O2/c1-15(2,3)13-9-12(11-17)10-14(18-13)20-8-7-16(4,5)19-6/h9-10H,7-8,11,17H2,1-6H3
InChIKeyIRTHLQQBWFOCEU-UHFFFAOYSA-N
XLogP3.03
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-Dimethylphenoxy)-3,6-dimethyl-4-(pentan-3-yloxy)pyridine
CID 21912293
2-Methyl-6-phenylmethoxypyridine
CID 261829
1-[2-[4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl]oxy-6-azaspiro[3.4]octan-6-yl]ethanone;hydrochloride
CID 122516823
US11072585, Example 101
CID 122516824
US11072585, Example 57
CID 122516911
(2-Methoxy-4,6-dimethylpyridin-3-yl)methanamine
CID 28064222
(6-(Tert-butoxy)pyridin-2-yl)methanamine
CID 62290744
4-Methyl-5-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methylamino]pentan-2-ol
CID 92044533
Pyridine, 2-(2-diethylaminoethoxy)-4,6-dimethyl-, hydrochloride
CID 3057785
[(2-Methoxy-4,6-dimethylpyridin-3-yl)methyl](methyl)amine
CID 62291728
(2-Methoxy-6-methylpyridin-4-yl)methanamine
CID 72216158
1-(6-Ethoxypyridin-2-yl)methanamine
CID 62290283

Frequently Asked Questions

What is the IUPAC name of [2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine?
The IUPAC name of [2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine (CID 106667369) is [2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine is COC(C)(C)CCOc1cc(CN)cc(C(C)(C)C)n1.
What is the InChIKey of [2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine?
The InChIKey is IRTHLQQBWFOCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-15(2,3)13-9-12(11-17)10-14(18-13)20-8-7-16(4,5)19-6/h9-10H,7-8,11,17H2,1-6H3.
What are the key properties of [2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine?
[2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine has a molecular weight of 280.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-tert-butyl-6-(3-methoxy-3-methylbutoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 106667369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).