1-amino-2-methylpropan-2-ol;ethanol;tantalum

C12H35NO5Ta — CID 174826952

IUPAC1-amino-2-methylpropan-2-ol;ethanol;tantalum
SMILESCC(C)(O)CN.CCO.CCO.CCO.CCO.[Ta]
InChIInChI=1S/C4H11NO.4C2H6O.Ta/c1-4(2,6)3-5;4*1-2-3;/h6H,3,5H2,1-2H3;4*3H,2H2,1H3;
InChIKeySTYBUWZJDJAYJE-UHFFFAOYSA-N
MW454.36 g/mol
LogP-0.29
Rot. Bonds1

About 1-amino-2-methylpropan-2-ol;ethanol;tantalum

1-amino-2-methylpropan-2-ol;ethanol;tantalum (PubChem CID 174826952) has the molecular formula C12H35NO5Ta and a molecular weight of 454.36 g/mol. Its IUPAC name is 1-amino-2-methylpropan-2-ol;ethanol;tantalum.

Molecular Properties

Compound Name1-amino-2-methylpropan-2-ol;ethanol;tantalum
PubChem CID174826952
Molecular FormulaC12H35NO5Ta
Molecular Weight454.36 g/mol
Exact Mass454.20
IUPAC Name1-amino-2-methylpropan-2-ol;ethanol;tantalum
SMILESCC(C)(O)CN.CCO.CCO.CCO.CCO.[Ta]
InChIInChI=1S/C4H11NO.4C2H6O.Ta/c1-4(2,6)3-5;4*1-2-3;/h6H,3,5H2,1-2H3;4*3H,2H2,1H3;
InChIKeySTYBUWZJDJAYJE-UHFFFAOYSA-N
XLogP-0.29
TPSA127.17 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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(2R)-1-amino-2-methylpentan-2-ol
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1-amino-3,3-dimethylpentane-2,2-diol
CID 87668093
1-aminobutane-2,2-diol
CID 158169246
ethanol;1,1,1-trichloro-2-methylpropan-2-ol
CID 88520604
1-amino-2-ethoxypropan-2-ol
CID 174792064
ethanol;methanamine;hydrobromide
CID 175198419
ethanol;methanamine;hydrate
CID 173355731
ethanol;methanol;2-methylpropan-2-ol;propan-2-ol
CID 157184290

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methylpropan-2-ol;ethanol;tantalum?
The IUPAC name of 1-amino-2-methylpropan-2-ol;ethanol;tantalum (CID 174826952) is 1-amino-2-methylpropan-2-ol;ethanol;tantalum.
What is the SMILES notation for 1-amino-2-methylpropan-2-ol;ethanol;tantalum?
The canonical SMILES for 1-amino-2-methylpropan-2-ol;ethanol;tantalum is CC(C)(O)CN.CCO.CCO.CCO.CCO.[Ta].
What is the InChIKey of 1-amino-2-methylpropan-2-ol;ethanol;tantalum?
The InChIKey is STYBUWZJDJAYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.4C2H6O.Ta/c1-4(2,6)3-5;4*1-2-3;/h6H,3,5H2,1-2H3;4*3H,2H2,1H3;.
What are the key properties of 1-amino-2-methylpropan-2-ol;ethanol;tantalum?
1-amino-2-methylpropan-2-ol;ethanol;tantalum has a molecular weight of 454.36 g/mol, XLogP of -0.29, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methylpropan-2-ol;ethanol;tantalum is sourced from PubChem (CID 174826952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).