8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine

C20H30AlN — CID 87741330

IUPAC8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine
SMILESCCCC[Al](CCCC)c1cccc2cccc(N(C)C)c12
InChIInChI=1S/C12H12N.2C4H9.Al/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;2*1-3-4-2;/h3-7,9H,1-2H3;2*1,3-4H2,2H3;
InChIKeyHAWUTAVEISXHLV-UHFFFAOYSA-N
MW311.45 g/mol
LogP5.21
Rot. Bonds8

About 8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine

8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine (PubChem CID 87741330) has the molecular formula C20H30AlN and a molecular weight of 311.45 g/mol. Its IUPAC name is 8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine.

Molecular Properties

Compound Name8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine
PubChem CID87741330
Molecular FormulaC20H30AlN
Molecular Weight311.45 g/mol
Exact Mass311.22
IUPAC Name8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine
SMILESCCCC[Al](CCCC)c1cccc2cccc(N(C)C)c12
InChIInChI=1S/C12H12N.2C4H9.Al/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;2*1-3-4-2;/h3-7,9H,1-2H3;2*1,3-4H2,2H3;
InChIKeyHAWUTAVEISXHLV-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine?
The IUPAC name of 8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine (CID 87741330) is 8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine.
What is the SMILES notation for 8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine?
The canonical SMILES for 8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine is CCCC[Al](CCCC)c1cccc2cccc(N(C)C)c12.
What is the InChIKey of 8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine?
The InChIKey is HAWUTAVEISXHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N.2C4H9.Al/c1-13(2)12-9-5-7-10-6-3-4-8-11(10)12;2*1-3-4-2;/h3-7,9H,1-2H3;2*1,3-4H2,2H3;.
What are the key properties of 8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine?
8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine has a molecular weight of 311.45 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibutylalumanyl-N,N-dimethylnaphthalen-1-amine is sourced from PubChem (CID 87741330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).