(Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine

C17H34AlNO — CID 154587364

IUPAC(Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine
SMILESCC/N=C(/C=C(\O[Al](C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C11H21NO.2C3H7.Al/c1-6-12-10(8(2)3)7-11(13)9(4)5;2*1-3-2;/h7-9,13H,6H2,1-5H3;2*3H,1-2H3;/q;;;+1/p-1/b11-7-,12-10-;;;
InChIKeyQFQULCYPSUZRQF-PWAPHRHFSA-M
MW295.45 g/mol
LogP5.47
Rot. Bonds8

About (Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine

(Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine (PubChem CID 154587364) has the molecular formula C17H34AlNO and a molecular weight of 295.45 g/mol. Its IUPAC name is (Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine.

Molecular Properties

Compound Name(Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine
PubChem CID154587364
Molecular FormulaC17H34AlNO
Molecular Weight295.45 g/mol
Exact Mass295.25
IUPAC Name(Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine
SMILESCC/N=C(/C=C(\O[Al](C(C)C)C(C)C)C(C)C)C(C)C
InChIInChI=1S/C11H21NO.2C3H7.Al/c1-6-12-10(8(2)3)7-11(13)9(4)5;2*1-3-2;/h7-9,13H,6H2,1-5H3;2*3H,1-2H3;/q;;;+1/p-1/b11-7-,12-10-;;;
InChIKeyQFQULCYPSUZRQF-PWAPHRHFSA-M
XLogP5.47
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.45
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5-amino-2,6-dimethylhept-4-en-3-ylidene)amino]ethanol
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1-[[bis(ethylamino)methylideneamino]methyl]-2,3-diethylguanidine
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ethanol;4-methylpent-1-ene
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N'-[(Z)-4-methylpent-2-en-3-yl]oxymethanimidamide
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2-N-ethyl-5-methylhexane-2,4-diimine
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4-methyl-N-pentylpent-1-en-3-imine
CID 123625020
(Z)-N-ethyl-2-piperidin-2-ylhex-4-en-3-imine
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N-ethyl-4-ethyliminopent-2-en-2-amine
CID 72526443
(Z)-3-[(E)-but-1-enoxy]-4-methylpent-2-ene
CID 176949443
ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine
CID 142313444
(3Z)-4-ethoxy-5-methylhexa-1,3-diene
CID 166091166

Frequently Asked Questions

What is the IUPAC name of (Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine?
The IUPAC name of (Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine (CID 154587364) is (Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine.
What is the SMILES notation for (Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine?
The canonical SMILES for (Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine is CC/N=C(/C=C(\O[Al](C(C)C)C(C)C)C(C)C)C(C)C.
What is the InChIKey of (Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine?
The InChIKey is QFQULCYPSUZRQF-PWAPHRHFSA-M. The full InChI is InChI=1S/C11H21NO.2C3H7.Al/c1-6-12-10(8(2)3)7-11(13)9(4)5;2*1-3-2;/h7-9,13H,6H2,1-5H3;2*3H,1-2H3;/q;;;+1/p-1/b11-7-,12-10-;;;.
What are the key properties of (Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine?
(Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine has a molecular weight of 295.45 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-di(propan-2-yl)alumanyloxy-N-ethyl-2,6-dimethylhept-4-en-3-imine is sourced from PubChem (CID 154587364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).