5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine

C12H27NO2 — CID 103031424

IUPAC5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine
SMILESCOC(C)(C)CCC(N)COC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-11(2,3)15-9-10(13)7-8-12(4,5)14-6/h10H,7-9,13H2,1-6H3
InChIKeyQTSOPJSUINALGH-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.33
Rot. Bonds6

About 5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine

5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine (PubChem CID 103031424) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine
PubChem CID103031424
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine
SMILESCOC(C)(C)CCC(N)COC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-11(2,3)15-9-10(13)7-8-12(4,5)14-6/h10H,7-9,13H2,1-6H3
InChIKeyQTSOPJSUINALGH-UHFFFAOYSA-N
XLogP2.33
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine?
The IUPAC name of 5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine (CID 103031424) is 5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine.
What is the SMILES notation for 5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine?
The canonical SMILES for 5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine is COC(C)(C)CCC(N)COC(C)(C)C.
What is the InChIKey of 5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine?
The InChIKey is QTSOPJSUINALGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-11(2,3)15-9-10(13)7-8-12(4,5)14-6/h10H,7-9,13H2,1-6H3.
What are the key properties of 5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine?
5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine has a molecular weight of 217.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-amine is sourced from PubChem (CID 103031424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).