N,N-dioctyloctan-1-amine;triethylalumane

C30H66AlN — CID 172737548

IUPACN,N-dioctyloctan-1-amine;triethylalumane
SMILESCCCCCCCCN(CCCCCCCC)CCCCCCCC.CC[Al](CC)CC
InChIInChI=1S/C24H51N.3C2H5.Al/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;3*1-2;/h4-24H2,1-3H3;3*1H2,2H3;
InChIKeyIQLNOGZDTLKXRM-UHFFFAOYSA-N
MW467.85 g/mol
LogP10.91
Rot. Bonds24

About N,N-dioctyloctan-1-amine;triethylalumane

N,N-dioctyloctan-1-amine;triethylalumane (PubChem CID 172737548) has the molecular formula C30H66AlN and a molecular weight of 467.85 g/mol. Its IUPAC name is N,N-dioctyloctan-1-amine;triethylalumane.

Molecular Properties

Compound NameN,N-dioctyloctan-1-amine;triethylalumane
PubChem CID172737548
Molecular FormulaC30H66AlN
Molecular Weight467.85 g/mol
Exact Mass467.50
IUPAC NameN,N-dioctyloctan-1-amine;triethylalumane
SMILESCCCCCCCCN(CCCCCCCC)CCCCCCCC.CC[Al](CC)CC
InChIInChI=1S/C24H51N.3C2H5.Al/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;3*1-2;/h4-24H2,1-3H3;3*1H2,2H3;
InChIKeyIQLNOGZDTLKXRM-UHFFFAOYSA-N
XLogP10.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.85
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentyltridecan-1-amine
CID 139723521
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870

Frequently Asked Questions

What is the IUPAC name of N,N-dioctyloctan-1-amine;triethylalumane?
The IUPAC name of N,N-dioctyloctan-1-amine;triethylalumane (CID 172737548) is N,N-dioctyloctan-1-amine;triethylalumane.
What is the SMILES notation for N,N-dioctyloctan-1-amine;triethylalumane?
The canonical SMILES for N,N-dioctyloctan-1-amine;triethylalumane is CCCCCCCCN(CCCCCCCC)CCCCCCCC.CC[Al](CC)CC.
What is the InChIKey of N,N-dioctyloctan-1-amine;triethylalumane?
The InChIKey is IQLNOGZDTLKXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51N.3C2H5.Al/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3;3*1-2;/h4-24H2,1-3H3;3*1H2,2H3;.
What are the key properties of N,N-dioctyloctan-1-amine;triethylalumane?
N,N-dioctyloctan-1-amine;triethylalumane has a molecular weight of 467.85 g/mol, XLogP of 10.91, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dioctyloctan-1-amine;triethylalumane is sourced from PubChem (CID 172737548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).