3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol

C12H27NO2 — CID 15631236

IUPAC3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol
SMILESCC(C)CC(N)C(C)(O)COC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-9(2)7-10(13)12(6,14)8-15-11(3,4)5/h9-10,14H,7-8,13H2,1-6H3
InChIKeyATVNXZBITZRRLR-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.93
Rot. Bonds5

About 3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol

3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol (PubChem CID 15631236) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol.

Molecular Properties

Compound Name3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol
PubChem CID15631236
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol
SMILESCC(C)CC(N)C(C)(O)COC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-9(2)7-10(13)12(6,14)8-15-11(3,4)5/h9-10,14H,7-8,13H2,1-6H3
InChIKeyATVNXZBITZRRLR-UHFFFAOYSA-N
XLogP1.93
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol?
The IUPAC name of 3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol (CID 15631236) is 3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol.
What is the SMILES notation for 3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol?
The canonical SMILES for 3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol is CC(C)CC(N)C(C)(O)COC(C)(C)C.
What is the InChIKey of 3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol?
The InChIKey is ATVNXZBITZRRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-9(2)7-10(13)12(6,14)8-15-11(3,4)5/h9-10,14H,7-8,13H2,1-6H3.
What are the key properties of 3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol?
3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexan-2-ol is sourced from PubChem (CID 15631236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).