azane;tris(2-methylpropan-1-ol)

C12H33NO3 — CID 175819145

IUPACazane;tris(2-methylpropan-1-ol)
SMILESCC(C)CO.CC(C)CO.CC(C)CO.N
InChIInChI=1S/3C4H10O.H3N/c3*1-4(2)3-5;/h3*4-5H,3H2,1-2H3;1H3
InChIKeyWKHYAOLGTLGJLU-UHFFFAOYSA-N
MW239.40 g/mol
LogP2.07
Rot. Bonds3

About azane;tris(2-methylpropan-1-ol)

azane;tris(2-methylpropan-1-ol) (PubChem CID 175819145) has the molecular formula C12H33NO3 and a molecular weight of 239.40 g/mol. Its IUPAC name is azane;tris(2-methylpropan-1-ol).

Molecular Properties

Compound Nameazane;tris(2-methylpropan-1-ol)
PubChem CID175819145
Molecular FormulaC12H33NO3
Molecular Weight239.40 g/mol
Exact Mass239.25
IUPAC Nameazane;tris(2-methylpropan-1-ol)
SMILESCC(C)CO.CC(C)CO.CC(C)CO.N
InChIInChI=1S/3C4H10O.H3N/c3*1-4(2)3-5;/h3*4-5H,3H2,1-2H3;1H3
InChIKeyWKHYAOLGTLGJLU-UHFFFAOYSA-N
XLogP2.07
TPSA95.69 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;tris(2-methylpropan-1-ol)?
The IUPAC name of azane;tris(2-methylpropan-1-ol) (CID 175819145) is azane;tris(2-methylpropan-1-ol).
What is the SMILES notation for azane;tris(2-methylpropan-1-ol)?
The canonical SMILES for azane;tris(2-methylpropan-1-ol) is CC(C)CO.CC(C)CO.CC(C)CO.N.
What is the InChIKey of azane;tris(2-methylpropan-1-ol)?
The InChIKey is WKHYAOLGTLGJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10O.H3N/c3*1-4(2)3-5;/h3*4-5H,3H2,1-2H3;1H3.
What are the key properties of azane;tris(2-methylpropan-1-ol)?
azane;tris(2-methylpropan-1-ol) has a molecular weight of 239.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;tris(2-methylpropan-1-ol) is sourced from PubChem (CID 175819145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).