3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol

C16H28N2O2 — CID 114492175

IUPAC3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C16H28N2O2/c1-6-16(19,7-2)12-20-14-9-8-13(17-11-14)10-18-15(3,4)5/h8-9,11,18-19H,6-7,10,12H2,1-5H3
InChIKeyYOHPMDZPQIZIFI-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.90
Rot. Bonds7

About 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol

3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol (PubChem CID 114492175) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol
PubChem CID114492175
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C16H28N2O2/c1-6-16(19,7-2)12-20-14-9-8-13(17-11-14)10-18-15(3,4)5/h8-9,11,18-19H,6-7,10,12H2,1-5H3
InChIKeyYOHPMDZPQIZIFI-UHFFFAOYSA-N
XLogP2.90
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol with MolForge

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Related Compounds

1-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-2,3-dimethylbutan-2-ol
CID 114492176
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
N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788512
2-methyl-N-[[5-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 106704714
2-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N,N-diethylacetamide
CID 79788538
2-methyl-N-[[5-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79794003
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxy]-N-ethylpropanamide
CID 79784063
N-[(5-but-3-ynoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 79794973
N-[[5-[(3-ethylimidazol-4-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788513
N-[[5-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79783662

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol?
The IUPAC name of 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol (CID 114492175) is 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol.
What is the SMILES notation for 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol?
The canonical SMILES for 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol is CCC(O)(CC)COc1ccc(CNC(C)(C)C)nc1.
What is the InChIKey of 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol?
The InChIKey is YOHPMDZPQIZIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-6-16(19,7-2)12-20-14-9-8-13(17-11-14)10-18-15(3,4)5/h8-9,11,18-19H,6-7,10,12H2,1-5H3.
What are the key properties of 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol?
3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol has a molecular weight of 280.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[(tert-butylamino)methyl]-3-pyridinyl]oxymethyl]pentan-3-ol is sourced from PubChem (CID 114492175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).