2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane

C12H30AlNO3 — CID 173268519

IUPAC2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane
SMILESCC(C[AlH2])CC(C)(C)C.NC(CO)(CO)CO
InChIInChI=1S/C8H17.C4H11NO3.Al.2H/c1-7(2)6-8(3,4)5;5-4(1-6,2-7)3-8;;;/h7H,1,6H2,2-5H3;6-8H,1-3,5H2;;;
InChIKeyXFJJOJNRYSWOLJ-UHFFFAOYSA-N
MW263.36 g/mol
LogP-0.23
Rot. Bonds5

About 2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane

2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane (PubChem CID 173268519) has the molecular formula C12H30AlNO3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane.

Molecular Properties

Compound Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane
PubChem CID173268519
Molecular FormulaC12H30AlNO3
Molecular Weight263.36 g/mol
Exact Mass263.20
IUPAC Name2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane
SMILESCC(C[AlH2])CC(C)(C)C.NC(CO)(CO)CO
InChIInChI=1S/C8H17.C4H11NO3.Al.2H/c1-7(2)6-8(3,4)5;5-4(1-6,2-7)3-8;;;/h7H,1,6H2,2-5H3;6-8H,1-3,5H2;;;
InChIKeyXFJJOJNRYSWOLJ-UHFFFAOYSA-N
XLogP-0.23
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5484103
CID 5484103
lithium;2-amino-2-(hydroxymethyl)propane-1,3-diol;hydride
CID 173034607
2-amino-2-(hydroxymethyl)propane-1,3-diol;N,N-dimethylmethanamine;dihydrochloride
CID 175534832
2-amino-2-(hydroxymethyl)propane-1,3-diol;chloromethanol;methanamine
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2-amino-2-(hydroxymethyl)propane-1,3-diol;ethane-1,2-diamine
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4,4,6,8,8-pentamethylnonan-2-ol
CID 156689578

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane?
The IUPAC name of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane (CID 173268519) is 2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane.
What is the SMILES notation for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane?
The canonical SMILES for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane is CC(C[AlH2])CC(C)(C)C.NC(CO)(CO)CO.
What is the InChIKey of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane?
The InChIKey is XFJJOJNRYSWOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.C4H11NO3.Al.2H/c1-7(2)6-8(3,4)5;5-4(1-6,2-7)3-8;;;/h7H,1,6H2,2-5H3;6-8H,1-3,5H2;;;.
What are the key properties of 2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane?
2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane has a molecular weight of 263.36 g/mol, XLogP of -0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(hydroxymethyl)propane-1,3-diol;2,4,4-trimethylpentylalumane is sourced from PubChem (CID 173268519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).