3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol

C17H30N2O2 — CID 114492150

IUPAC3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(C)nc1CNC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-7-17(20,8-2)12-21-15-10-9-13(3)19-14(15)11-18-16(4,5)6/h9-10,18,20H,7-8,11-12H2,1-6H3
InChIKeyHMKMXLUMCPYXFK-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.21
Rot. Bonds7

About 3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol

3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol (PubChem CID 114492150) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol
PubChem CID114492150
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol
SMILESCCC(O)(CC)COc1ccc(C)nc1CNC(C)(C)C
InChIInChI=1S/C17H30N2O2/c1-7-17(20,8-2)12-21-15-10-9-13(3)19-14(15)11-18-16(4,5)6/h9-10,18,20H,7-8,11-12H2,1-6H3
InChIKeyHMKMXLUMCPYXFK-UHFFFAOYSA-N
XLogP3.21
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol?
The IUPAC name of 3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol (CID 114492150) is 3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol.
What is the SMILES notation for 3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol?
The canonical SMILES for 3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol is CCC(O)(CC)COc1ccc(C)nc1CNC(C)(C)C.
What is the InChIKey of 3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol?
The InChIKey is HMKMXLUMCPYXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-7-17(20,8-2)12-21-15-10-9-13(3)19-14(15)11-18-16(4,5)6/h9-10,18,20H,7-8,11-12H2,1-6H3.
What are the key properties of 3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol?
3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol has a molecular weight of 294.44 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(tert-butylamino)methyl]-6-methyl-3-pyridinyl]oxymethyl]pentan-3-ol is sourced from PubChem (CID 114492150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).