N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine

C9H13Al2N3 — CID 147119657

IUPACN-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
SMILESCC(=N[AlH2])c1cccc(C(C)=N[AlH2])n1
InChIInChI=1S/C9H9N3.2Al.4H/c1-6(10)8-4-3-5-9(12-8)7(2)11;;;;;;/h3-5H,1-2H3;;;;;;/q-2;2*+1;;;;
InChIKeyCCXUTMHBBVZMSV-UHFFFAOYSA-N
MW217.19 g/mol
LogP-0.20
Rot. Bonds2

About N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine

N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine (PubChem CID 147119657) has the molecular formula C9H13Al2N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine.

Molecular Properties

Compound NameN-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
PubChem CID147119657
Molecular FormulaC9H13Al2N3
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC NameN-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine
SMILESCC(=N[AlH2])c1cccc(C(C)=N[AlH2])n1
InChIInChI=1S/C9H9N3.2Al.4H/c1-6(10)8-4-3-5-9(12-8)7(2)11;;;;;;/h3-5H,1-2H3;;;;;;/q-2;2*+1;;;;
InChIKeyCCXUTMHBBVZMSV-UHFFFAOYSA-N
XLogP-0.20
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-[6-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-N-methylmethanamine
CID 15522728
iron;bis(1-[6-(C-methyl-N-propan-2-ylcarbonimidoyl)-2-pyridinyl]-N-propan-2-ylethanimine)
CID 139126659
1-[6-(C-methyl-N-pyrrol-1-ylcarbonimidoyl)-2-pyridinyl]-N-pyrrol-1-ylethanimine
CID 76843609
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768
chromium;N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 175164835
1-[6-[(E)-N-iodo-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 143596814
(E)-1-(6-methyl-2-pyridinyl)-N-[(E)-1-(6-methyl-2-pyridinyl)ethylideneamino]ethanimine
CID 50989515
1-[6-(C-methyl-N-tritylcarbonimidoyl)-2-pyridinyl]-N-tritylethanimine
CID 172716311
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride
CID 173243974
cobalt(3+);1-[6-[C-methyl-N-(4-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(4-methylphenyl)ethanimine;trichloride
CID 173244874
[1-[6-[N-(carbamothioylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]thiourea
CID 3940512
N-(2,6-dichlorophenyl)-1-[6-[N-(2,6-dichlorophenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;iron(2+);dichloride
CID 172995773

Frequently Asked Questions

What is the IUPAC name of N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine?
The IUPAC name of N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine (CID 147119657) is N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine.
What is the SMILES notation for N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine?
The canonical SMILES for N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine is CC(=N[AlH2])c1cccc(C(C)=N[AlH2])n1.
What is the InChIKey of N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine?
The InChIKey is CCXUTMHBBVZMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3.2Al.4H/c1-6(10)8-4-3-5-9(12-8)7(2)11;;;;;;/h3-5H,1-2H3;;;;;;/q-2;2*+1;;;;.
What are the key properties of N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine?
N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine has a molecular weight of 217.19 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-alumanyl-1-[6-(N-alumanyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine is sourced from PubChem (CID 147119657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).