1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol

C12H27NO2 — CID 134385792

IUPAC1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol
SMILESCC(CCN)CC(C)(C)OCC(C)(C)O
InChIInChI=1S/C12H27NO2/c1-10(6-7-13)8-12(4,5)15-9-11(2,3)14/h10,14H,6-9,13H2,1-5H3
InChIKeyREQINFWQRKCYIY-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.93
Rot. Bonds7

About 1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol

1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol (PubChem CID 134385792) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol
PubChem CID134385792
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol
SMILESCC(CCN)CC(C)(C)OCC(C)(C)O
InChIInChI=1S/C12H27NO2/c1-10(6-7-13)8-12(4,5)15-9-11(2,3)14/h10,14H,6-9,13H2,1-5H3
InChIKeyREQINFWQRKCYIY-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol?
The IUPAC name of 1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol (CID 134385792) is 1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol is CC(CCN)CC(C)(C)OCC(C)(C)O.
What is the InChIKey of 1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol?
The InChIKey is REQINFWQRKCYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-10(6-7-13)8-12(4,5)15-9-11(2,3)14/h10,14H,6-9,13H2,1-5H3.
What are the key properties of 1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol?
1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2,4-dimethylhexan-2-yl)oxy-2-methylpropan-2-ol is sourced from PubChem (CID 134385792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).