1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol

C16H28N2O2 — CID 114492176

IUPAC1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)COc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C16H28N2O2/c1-12(2)16(6,19)11-20-14-8-7-13(17-10-14)9-18-15(3,4)5/h7-8,10,12,18-19H,9,11H2,1-6H3
InChIKeyUHRMRSXCUACJQB-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.76
Rot. Bonds6

About 1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol

1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol (PubChem CID 114492176) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol
PubChem CID114492176
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)COc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C16H28N2O2/c1-12(2)16(6,19)11-20-14-8-7-13(17-10-14)9-18-15(3,4)5/h7-8,10,12,18-19H,9,11H2,1-6H3
InChIKeyUHRMRSXCUACJQB-UHFFFAOYSA-N
XLogP2.76
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol with MolForge

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Related Compounds

3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol
CID 114492175
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 82927537
N-[[5-(2-chloroprop-2-enoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79784061
N-[[5-(4-methoxybutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 104647123
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 106704714
N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 79794973
N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788512
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 79788538
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-cyclopropylpropanamide
CID 79783476
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711

Frequently Asked Questions

What is the IUPAC name of 1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol (CID 114492176) is 1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)COc1ccc(CNC(C)(C)C)nc1.
What is the InChIKey of 1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol?
The InChIKey is UHRMRSXCUACJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(2)16(6,19)11-20-14-8-7-13(17-10-14)9-18-15(3,4)5/h7-8,10,12,18-19H,9,11H2,1-6H3.
What are the key properties of 1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol?
1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114492176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).