(Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine

C9H18AlNO — CID 154587345

IUPAC(Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine
SMILESCC/N=C(C)/C=C(/C)O[Al](C)C
InChIInChI=1S/C7H13NO.2CH3.Al/c1-4-8-6(2)5-7(3)9;;;/h5,9H,4H2,1-3H3;2*1H3;/q;;;+1/p-1/b7-5-,8-6+;;;
InChIKeyKQKISWOBYHUAND-YMUQBKKTSA-M
MW183.23 g/mol
LogP2.64
Rot. Bonds4

About (Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine

(Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine (PubChem CID 154587345) has the molecular formula C9H18AlNO and a molecular weight of 183.23 g/mol. Its IUPAC name is (Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine
PubChem CID154587345
Molecular FormulaC9H18AlNO
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name(Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine
SMILESCC/N=C(C)/C=C(/C)O[Al](C)C
InChIInChI=1S/C7H13NO.2CH3.Al/c1-4-8-6(2)5-7(3)9;;;/h5,9H,4H2,1-3H3;2*1H3;/q;;;+1/p-1/b7-5-,8-6+;;;
InChIKeyKQKISWOBYHUAND-YMUQBKKTSA-M
XLogP2.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.64
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-propan-2-yliminopent-2-en-2-olate
CID 102466069
ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine
CID 142313444
(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-[tert-butyl(chloro)alumanyl]oxy-N-ethyl-2,6-dimethylhept-4-en-3-imine
CID 154587338

Frequently Asked Questions

What is the IUPAC name of (Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine?
The IUPAC name of (Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine (CID 154587345) is (Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine.
What is the SMILES notation for (Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine?
The canonical SMILES for (Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine is CC/N=C(C)/C=C(/C)O[Al](C)C.
What is the InChIKey of (Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine?
The InChIKey is KQKISWOBYHUAND-YMUQBKKTSA-M. The full InChI is InChI=1S/C7H13NO.2CH3.Al/c1-4-8-6(2)5-7(3)9;;;/h5,9H,4H2,1-3H3;2*1H3;/q;;;+1/p-1/b7-5-,8-6+;;;.
What are the key properties of (Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine?
(Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine has a molecular weight of 183.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine is sourced from PubChem (CID 154587345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).