[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

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

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Related Compounds

[4-[2-(aminomethyl)-2-methylbutyl]-5-methylmorpholin-2-yl]methanol
CID 81213633
3-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pentan-3-ol
CID 114495754
N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine
CID 62257332
[4-[2,2-dimethyl-3-(2-methylpropylamino)propyl]-5-methylmorpholin-2-yl]methanol
CID 81212705
N-tert-butyl-2-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpentan-1-amine
CID 79184023
[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol
CID 102977802
2-(2-azabicyclo[2.2.1]heptan-2-ylmethyl)-N-tert-butyl-2-methylpentan-1-amine
CID 62260271
2-[(2,5-dimethylmorpholin-4-yl)methyl]-2-methylbutan-1-ol
CID 62272394
[4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol
CID 81203343
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330

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).