lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide

C17H29AlLiNO — CID 134997042

IUPAClithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide
SMILESCOc1ccccc1/C=N/[Al-](C)(CC(C)C)CC(C)C.[Li+]
InChIInChI=1S/C8H8NO.2C4H9.CH3.Al.Li/c1-10-8-5-3-2-4-7(8)6-9;2*1-4(2)3;;;/h2-6H,1H3;2*4H,1H2,2-3H3;1H3;;/q-1;;;;;+1
InChIKeyYXEWZWUACXZKNU-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.01
Rot. Bonds7

About lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide

lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide (PubChem CID 134997042) has the molecular formula C17H29AlLiNO and a molecular weight of 297.35 g/mol. Its IUPAC name is lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide.

Molecular Properties

Compound Namelithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide
PubChem CID134997042
Molecular FormulaC17H29AlLiNO
Molecular Weight297.35 g/mol
Exact Mass297.22
IUPAC Namelithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide
SMILESCOc1ccccc1/C=N/[Al-](C)(CC(C)C)CC(C)C.[Li+]
InChIInChI=1S/C8H8NO.2C4H9.CH3.Al.Li/c1-10-8-5-3-2-4-7(8)6-9;2*1-4(2)3;;;/h2-6H,1H3;2*4H,1H2,2-3H3;1H3;;/q-1;;;;;+1
InChIKeyYXEWZWUACXZKNU-UHFFFAOYSA-N
XLogP2.01
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide?
The IUPAC name of lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide (CID 134997042) is lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide.
What is the SMILES notation for lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide?
The canonical SMILES for lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide is COc1ccccc1/C=N/[Al-](C)(CC(C)C)CC(C)C.[Li+].
What is the InChIKey of lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide?
The InChIKey is YXEWZWUACXZKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO.2C4H9.CH3.Al.Li/c1-10-8-5-3-2-4-7(8)6-9;2*1-4(2)3;;;/h2-6H,1H3;2*4H,1H2,2-3H3;1H3;;/q-1;;;;;+1.
What are the key properties of lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide?
lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide has a molecular weight of 297.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(E)-(2-methoxyphenyl)methylideneamino]-methyl-bis(2-methylpropyl)alumanuide is sourced from PubChem (CID 134997042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).