dihexylalumane;N-octyloctan-1-amine

C28H62AlN — CID 173450934

IUPACdihexylalumane;N-octyloctan-1-amine
SMILESCCCCCCCCNCCCCCCCC.CCCCCC[AlH]CCCCCC
InChIInChI=1S/C16H35N.2C6H13.Al.H/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2*1-3-5-6-4-2;;/h17H,3-16H2,1-2H3;2*1,3-6H2,2H3;;
InChIKeyFTOZNICKLUNQEK-UHFFFAOYSA-N
MW439.79 g/mol
LogP9.72
Rot. Bonds24

About dihexylalumane;N-octyloctan-1-amine

dihexylalumane;N-octyloctan-1-amine (PubChem CID 173450934) has the molecular formula C28H62AlN and a molecular weight of 439.79 g/mol. Its IUPAC name is dihexylalumane;N-octyloctan-1-amine.

Molecular Properties

Compound Namedihexylalumane;N-octyloctan-1-amine
PubChem CID173450934
Molecular FormulaC28H62AlN
Molecular Weight439.79 g/mol
Exact Mass439.47
IUPAC Namedihexylalumane;N-octyloctan-1-amine
SMILESCCCCCCCCNCCCCCCCC.CCCCCC[AlH]CCCCCC
InChIInChI=1S/C16H35N.2C6H13.Al.H/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2*1-3-5-6-4-2;;/h17H,3-16H2,1-2H3;2*1,3-6H2,2H3;;
InChIKeyFTOZNICKLUNQEK-UHFFFAOYSA-N
XLogP9.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.79
LogP ≤ 59.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
dihexylalumane;hydrochloride
CID 175022158
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847

Frequently Asked Questions

What is the IUPAC name of dihexylalumane;N-octyloctan-1-amine?
The IUPAC name of dihexylalumane;N-octyloctan-1-amine (CID 173450934) is dihexylalumane;N-octyloctan-1-amine.
What is the SMILES notation for dihexylalumane;N-octyloctan-1-amine?
The canonical SMILES for dihexylalumane;N-octyloctan-1-amine is CCCCCCCCNCCCCCCCC.CCCCCC[AlH]CCCCCC.
What is the InChIKey of dihexylalumane;N-octyloctan-1-amine?
The InChIKey is FTOZNICKLUNQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.2C6H13.Al.H/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2;2*1-3-5-6-4-2;;/h17H,3-16H2,1-2H3;2*1,3-6H2,2H3;;.
What are the key properties of dihexylalumane;N-octyloctan-1-amine?
dihexylalumane;N-octyloctan-1-amine has a molecular weight of 439.79 g/mol, XLogP of 9.72, 24 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihexylalumane;N-octyloctan-1-amine is sourced from PubChem (CID 173450934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).