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

C12H24AlNO — CID 154587315

IUPAC(Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine
SMILESC/N=C(C)/C=C(/C)O[Al](C(C)C)C(C)C
InChIInChI=1S/C6H11NO.2C3H7.Al/c1-5(7-3)4-6(2)8;2*1-3-2;/h4,8H,1-3H3;2*3H,1-2H3;/q;;;+1/p-1/b6-4-,7-5+;;;
InChIKeyGZVDKDFYVFLQSM-FGPHPNAOSA-M
MW225.31 g/mol
LogP3.81
Rot. Bonds5

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

(Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine (PubChem CID 154587315) has the molecular formula C12H24AlNO and a molecular weight of 225.31 g/mol. Its IUPAC name is (Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine
PubChem CID154587315
Molecular FormulaC12H24AlNO
Molecular Weight225.31 g/mol
Exact Mass225.17
IUPAC Name(Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine
SMILESC/N=C(C)/C=C(/C)O[Al](C(C)C)C(C)C
InChIInChI=1S/C6H11NO.2C3H7.Al/c1-5(7-3)4-6(2)8;2*1-3-2;/h4,8H,1-3H3;2*3H,1-2H3;/q;;;+1/p-1/b6-4-,7-5+;;;
InChIKeyGZVDKDFYVFLQSM-FGPHPNAOSA-M
XLogP3.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.81
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

(Z)-4-methyliminopent-2-en-2-olate
CID 58104808
(Z)-4-tert-butyliminopent-2-en-2-olate
CID 58104810
(Z)-4-propan-2-yliminopent-2-en-2-olate
CID 102466069
(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)-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-methylpent-3-en-2-imine?
The IUPAC name of (Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine (CID 154587315) is (Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine.
What is the SMILES notation for (Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine?
The canonical SMILES for (Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine is C/N=C(C)/C=C(/C)O[Al](C(C)C)C(C)C.
What is the InChIKey of (Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine?
The InChIKey is GZVDKDFYVFLQSM-FGPHPNAOSA-M. The full InChI is InChI=1S/C6H11NO.2C3H7.Al/c1-5(7-3)4-6(2)8;2*1-3-2;/h4,8H,1-3H3;2*3H,1-2H3;/q;;;+1/p-1/b6-4-,7-5+;;;.
What are the key properties of (Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine?
(Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine has a molecular weight of 225.31 g/mol, XLogP of 3.81, 5 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-methylpent-3-en-2-imine is sourced from PubChem (CID 154587315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).