1-dioctylalumanyloxy-N,N-diethylpropan-1-amine

C23H50AlNO — CID 139905004

IUPAC1-dioctylalumanyloxy-N,N-diethylpropan-1-amine
SMILESCCCCCCCC[Al](CCCCCCCC)OC(CC)N(CC)CC
InChIInChI=1S/2C8H17.C7H16NO.Al/c2*1-3-5-7-8-6-4-2;1-4-7(9)8(5-2)6-3;/h2*1,3-8H2,2H3;7H,4-6H2,1-3H3;/q;;-1;+1
InChIKeyKGMCHJPCCKSZNC-UHFFFAOYSA-N
MW383.64 g/mol
LogP7.79
Rot. Bonds20

About 1-dioctylalumanyloxy-N,N-diethylpropan-1-amine

1-dioctylalumanyloxy-N,N-diethylpropan-1-amine (PubChem CID 139905004) has the molecular formula C23H50AlNO and a molecular weight of 383.64 g/mol. Its IUPAC name is 1-dioctylalumanyloxy-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name1-dioctylalumanyloxy-N,N-diethylpropan-1-amine
PubChem CID139905004
Molecular FormulaC23H50AlNO
Molecular Weight383.64 g/mol
Exact Mass383.37
IUPAC Name1-dioctylalumanyloxy-N,N-diethylpropan-1-amine
SMILESCCCCCCCC[Al](CCCCCCCC)OC(CC)N(CC)CC
InChIInChI=1S/2C8H17.C7H16NO.Al/c2*1-3-5-7-8-6-4-2;1-4-7(9)8(5-2)6-3;/h2*1,3-8H2,2H3;7H,4-6H2,1-3H3;/q;;-1;+1
InChIKeyKGMCHJPCCKSZNC-UHFFFAOYSA-N
XLogP7.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.64
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-dihexylalumanyloxy-N,N-diethylpropan-1-amine
CID 139905384
dihexyl(1-methoxybutoxy)alumane
CID 139905179
N-(1-dibutylalumanyloxyethyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 139905288
1-dimethylalumanyloxy-N,N-dipropylpropan-1-amine
CID 139905355
decyl-di(propan-2-yloxy)alumane
CID 141398006
dihexyl-[1-(oxan-4-yl)ethoxy]alumane
CID 139905185
1-(1-methylpiperidin-4-yl)ethoxy-dioctylalumane
CID 139905093
1-(diethylamino)octadecyl 2-methylprop-2-enoate
CID 57223262
decane;ruthenium
CID 160818595
heptane;trihexylalumane
CID 22011139
N,N-dimethyl-1-tetradecoxypropan-1-amine
CID 175405088
1-N',1-N'-diethyl-1-N-octadecylethane-1,1-diamine
CID 139642317

Frequently Asked Questions

What is the IUPAC name of 1-dioctylalumanyloxy-N,N-diethylpropan-1-amine?
The IUPAC name of 1-dioctylalumanyloxy-N,N-diethylpropan-1-amine (CID 139905004) is 1-dioctylalumanyloxy-N,N-diethylpropan-1-amine.
What is the SMILES notation for 1-dioctylalumanyloxy-N,N-diethylpropan-1-amine?
The canonical SMILES for 1-dioctylalumanyloxy-N,N-diethylpropan-1-amine is CCCCCCCC[Al](CCCCCCCC)OC(CC)N(CC)CC.
What is the InChIKey of 1-dioctylalumanyloxy-N,N-diethylpropan-1-amine?
The InChIKey is KGMCHJPCCKSZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17.C7H16NO.Al/c2*1-3-5-7-8-6-4-2;1-4-7(9)8(5-2)6-3;/h2*1,3-8H2,2H3;7H,4-6H2,1-3H3;/q;;-1;+1.
What are the key properties of 1-dioctylalumanyloxy-N,N-diethylpropan-1-amine?
1-dioctylalumanyloxy-N,N-diethylpropan-1-amine has a molecular weight of 383.64 g/mol, XLogP of 7.79, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dioctylalumanyloxy-N,N-diethylpropan-1-amine is sourced from PubChem (CID 139905004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).