(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine

C15H31AlN2 — CID 153097017

IUPAC(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
SMILESCC/N=C(/C=C(/CC)N(CC)[Al](CC)CC)CC
InChIInChI=1S/C11H21N2.2C2H5.Al/c1-5-10(12-7-3)9-11(6-2)13-8-4;2*1-2;/h9H,5-8H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyVQHXHNKHWCVUKD-PKMVWEJNSA-N
MW266.41 g/mol
LogP4.50
Rot. Bonds9

About (Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine

(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine (PubChem CID 153097017) has the molecular formula C15H31AlN2 and a molecular weight of 266.41 g/mol. Its IUPAC name is (Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
PubChem CID153097017
Molecular FormulaC15H31AlN2
Molecular Weight266.41 g/mol
Exact Mass266.23
IUPAC Name(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
SMILESCC/N=C(/C=C(/CC)N(CC)[Al](CC)CC)CC
InChIInChI=1S/C11H21N2.2C2H5.Al/c1-5-10(12-7-3)9-11(6-2)13-8-4;2*1-2;/h9H,5-8H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyVQHXHNKHWCVUKD-PKMVWEJNSA-N
XLogP4.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl-[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-methylazanium
CID 156677165
[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
CID 156677170
[(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium
CID 156677182
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
(Z)-N-diethylalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
CID 147679532
(Z)-N-diethylalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 148283379
(Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 148722617
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine
CID 154587302
(Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587303
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine
CID 154587304
(Z)-N-dideuterioalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587306
(Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587310

Frequently Asked Questions

What is the IUPAC name of (Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine (CID 153097017) is (Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine is CC/N=C(/C=C(/CC)N(CC)[Al](CC)CC)CC.
What is the InChIKey of (Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The InChIKey is VQHXHNKHWCVUKD-PKMVWEJNSA-N. The full InChI is InChI=1S/C11H21N2.2C2H5.Al/c1-5-10(12-7-3)9-11(6-2)13-8-4;2*1-2;/h9H,5-8H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;.
What are the key properties of (Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine has a molecular weight of 266.41 g/mol, XLogP of 4.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine is sourced from PubChem (CID 153097017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).