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

C14H32AlNO — CID 139756116

IUPAC2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine
SMILESCCN(CC)CCO[Al](CC(C)C)CC(C)C
InChIInChI=1S/C6H14NO.2C4H9.Al/c1-3-7(4-2)5-6-8;2*1-4(2)3;/h3-6H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyQMPLFAZPFWBJOR-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.65
Rot. Bonds10

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

2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine (PubChem CID 139756116) has the molecular formula C14H32AlNO and a molecular weight of 257.40 g/mol. Its IUPAC name is 2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine
PubChem CID139756116
Molecular FormulaC14H32AlNO
Molecular Weight257.40 g/mol
Exact Mass257.23
IUPAC Name2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine
SMILESCCN(CC)CCO[Al](CC(C)C)CC(C)C
InChIInChI=1S/C6H14NO.2C4H9.Al/c1-3-7(4-2)5-6-8;2*1-4(2)3;/h3-6H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyQMPLFAZPFWBJOR-UHFFFAOYSA-N
XLogP3.65
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[bis(2-methylpropyl)alumanyloxy]-N,N-dimethylethanamine
CID 16716117
1-[2-(diethylamino)ethoxy]propan-2-ol
CID 15233137
N,N-diethyl-2-sulfanyloxyethanamine
CID 141295772
2-(diethylamino)ethyl hypochlorite
CID 87389474
2-(diiodomethoxy)-N,N-diethylethanamine
CID 166818774
N',N'-diethyl-N-[2-(2-methylpropoxy)ethyl]ethane-1,2-diamine
CID 62565030
N-[1-[bis(2-methylpropyl)alumanyloxy]ethyl]-N-propylpropan-1-amine
CID 139905319
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
N,N-diethyl-2-prop-1-en-2-yloxyethanamine
CID 57188475
4-[2-(diethylamino)ethoxy]-N-propan-2-ylbutan-1-amine
CID 62459863
2-[bis[2-(diethylamino)ethoxy]silyloxy]-N,N-diethylethanamine
CID 123680409
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-methylpropanamide
CID 110425032

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine?
The IUPAC name of 2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine (CID 139756116) is 2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine.
What is the SMILES notation for 2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine?
The canonical SMILES for 2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine is CCN(CC)CCO[Al](CC(C)C)CC(C)C.
What is the InChIKey of 2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine?
The InChIKey is QMPLFAZPFWBJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO.2C4H9.Al/c1-3-7(4-2)5-6-8;2*1-4(2)3;/h3-6H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of 2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine?
2-[bis(2-methylpropyl)alumanyloxy]-N,N-diethylethanamine has a molecular weight of 257.40 g/mol, XLogP of 3.65, 10 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-diethylethanamine is sourced from PubChem (CID 139756116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).