(Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine

C14H28AlNO — CID 154587344

IUPAC(Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine
SMILESC/C(=C/C(C)=N/C(C)C)O[Al](C(C)C)C(C)C
InChIInChI=1S/C8H15NO.2C3H7.Al/c1-6(2)9-7(3)5-8(4)10;2*1-3-2;/h5-6,10H,1-4H3;2*3H,1-2H3;/q;;;+1/p-1/b8-5-,9-7+;;;
InChIKeyZPZQZSKAKOSUJJ-URYARSFFSA-M
MW253.37 g/mol
LogP4.59
Rot. Bonds6

About (Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine

(Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine (PubChem CID 154587344) has the molecular formula C14H28AlNO and a molecular weight of 253.37 g/mol. Its IUPAC name is (Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine
PubChem CID154587344
Molecular FormulaC14H28AlNO
Molecular Weight253.37 g/mol
Exact Mass253.20
IUPAC Name(Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine
SMILESC/C(=C/C(C)=N/C(C)C)O[Al](C(C)C)C(C)C
InChIInChI=1S/C8H15NO.2C3H7.Al/c1-6(2)9-7(3)5-8(4)10;2*1-3-2;/h5-6,10H,1-4H3;2*3H,1-2H3;/q;;;+1/p-1/b8-5-,9-7+;;;
InChIKeyZPZQZSKAKOSUJJ-URYARSFFSA-M
XLogP4.59
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 54.59
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'}

Analyze (Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-propan-2-yliminopent-2-en-2-olate
CID 102466069
(Z)-5-di(propan-2-yl)alumanyloxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine
CID 154587305
(Z)-5-dimethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine
CID 154587307
(Z)-4-dimethylalumanyloxy-N-methylpent-3-en-2-imine
CID 154587309
(Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine
CID 154587315
(Z)-5-diethylalumanyloxy-N-ethylhept-4-en-3-imine
CID 154587320
(Z)-5-di(propan-2-yl)alumanyloxy-N-propan-2-ylhept-4-en-3-imine
CID 154587323
(Z)-5-dimethylalumanyloxy-N-ethylhept-4-en-3-imine
CID 154587332
(Z)-5-dimethylalumanyloxy-N-propan-2-ylhept-4-en-3-imine
CID 154587333
(Z)-4-[tert-butyl(chloro)alumanyl]oxy-N-methylpent-3-en-2-imine
CID 154587335
(Z)-5-dimethylalumanyloxy-2,6-dimethyl-N-propan-2-ylhept-4-en-3-imine
CID 154587339
(Z)-5-diethylalumanyloxy-N,2,6-trimethylhept-4-en-3-imine
CID 154587340

Frequently Asked Questions

What is the IUPAC name of (Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine?
The IUPAC name of (Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine (CID 154587344) is (Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine.
What is the SMILES notation for (Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine?
The canonical SMILES for (Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine is C/C(=C/C(C)=N/C(C)C)O[Al](C(C)C)C(C)C.
What is the InChIKey of (Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine?
The InChIKey is ZPZQZSKAKOSUJJ-URYARSFFSA-M. The full InChI is InChI=1S/C8H15NO.2C3H7.Al/c1-6(2)9-7(3)5-8(4)10;2*1-3-2;/h5-6,10H,1-4H3;2*3H,1-2H3;/q;;;+1/p-1/b8-5-,9-7+;;;.
What are the key properties of (Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine?
(Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine has a molecular weight of 253.37 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine is sourced from PubChem (CID 154587344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).