[4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol

C17H36N2O2 — CID 81214331

IUPAC[4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol
SMILESCCCC(C)(CNC(C)(C)C)CN1CC(CO)OCC1C
InChIInChI=1S/C17H36N2O2/c1-7-8-17(6,12-18-16(3,4)5)13-19-9-15(10-20)21-11-14(19)2/h14-15,18,20H,7-13H2,1-6H3
InChIKeyPFTIUQHRTKADLI-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.26
Rot. Bonds7

About [4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol

[4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol (PubChem CID 81214331) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is [4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol
PubChem CID81214331
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name[4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol
SMILESCCCC(C)(CNC(C)(C)C)CN1CC(CO)OCC1C
InChIInChI=1S/C17H36N2O2/c1-7-8-17(6,12-18-16(3,4)5)13-19-9-15(10-20)21-11-14(19)2/h14-15,18,20H,7-13H2,1-6H3
InChIKeyPFTIUQHRTKADLI-UHFFFAOYSA-N
XLogP2.26
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol (CID 81214331) is [4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol is CCCC(C)(CNC(C)(C)C)CN1CC(CO)OCC1C.
What is the InChIKey of [4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol?
The InChIKey is PFTIUQHRTKADLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-7-8-17(6,12-18-16(3,4)5)13-19-9-15(10-20)21-11-14(19)2/h14-15,18,20H,7-13H2,1-6H3.
What are the key properties of [4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol?
[4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol has a molecular weight of 300.49 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(tert-butylamino)methyl]-2-methylpentyl]-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81214331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).