2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine

C12H28AlNO — CID 16716117

IUPAC2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine
SMILESCC(C)C[Al](CC(C)C)OCCN(C)C
InChIInChI=1S/C4H10NO.2C4H9.Al/c1-5(2)3-4-6;2*1-4(2)3;/h3-4H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyMAYSPBQOJPGSMZ-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.87
Rot. Bonds8

About 2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine

2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine (PubChem CID 16716117) has the molecular formula C12H28AlNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine
PubChem CID16716117
Molecular FormulaC12H28AlNO
Molecular Weight229.34 g/mol
Exact Mass229.20
IUPAC Name2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine
SMILESCC(C)C[Al](CC(C)C)OCCN(C)C
InChIInChI=1S/C4H10NO.2C4H9.Al/c1-5(2)3-4-6;2*1-4(2)3;/h3-4H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyMAYSPBQOJPGSMZ-UHFFFAOYSA-N
XLogP2.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine (CID 16716117) is 2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine is CC(C)C[Al](CC(C)C)OCCN(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine?
The InChIKey is MAYSPBQOJPGSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO.2C4H9.Al/c1-5(2)3-4-6;2*1-4(2)3;/h3-4H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of 2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine?
2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine has a molecular weight of 229.34 g/mol, XLogP of 2.87, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine is sourced from PubChem (CID 16716117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).