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

C11H23AlN2 — CID 154587331

IUPAC(Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
SMILES[2H][Al]([2H])N(CC)/C(=C\C(CC)=N\CC)CC
InChIInChI=1S/C11H21N2.Al.2H/c1-5-10(12-7-3)9-11(6-2)13-8-4;;;/h9H,5-8H2,1-4H3;;;/q-1;+1;;/b10-9-,13-11+;;;/i;;2*1+1
InChIKeyMSVXUYALVSPSHH-OOIBXHHDSA-N
MW212.31 g/mol
LogP2.02
Rot. Bonds7

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

(Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine (PubChem CID 154587331) has the molecular formula C11H23AlN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is (Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
PubChem CID154587331
Molecular FormulaC11H23AlN2
Molecular Weight212.31 g/mol
Exact Mass212.18
IUPAC Name(Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
SMILES[2H][Al]([2H])N(CC)/C(=C\C(CC)=N\CC)CC
InChIInChI=1S/C11H21N2.Al.2H/c1-5-10(12-7-3)9-11(6-2)13-8-4;;;/h9H,5-8H2,1-4H3;;;/q-1;+1;;/b10-9-,13-11+;;;/i;;2*1+1
InChIKeyMSVXUYALVSPSHH-OOIBXHHDSA-N
XLogP2.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.02
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-ethyl-4-ethyliminopent-2-en-2-amine
CID 148722617
(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 153097017
(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-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine (CID 154587331) is (Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine is [2H][Al]([2H])N(CC)/C(=C\C(CC)=N\CC)CC.
What is the InChIKey of (Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
The InChIKey is MSVXUYALVSPSHH-OOIBXHHDSA-N. The full InChI is InChI=1S/C11H21N2.Al.2H/c1-5-10(12-7-3)9-11(6-2)13-8-4;;;/h9H,5-8H2,1-4H3;;;/q-1;+1;;/b10-9-,13-11+;;;/i;;2*1+1.
What are the key properties of (Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine?
(Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine has a molecular weight of 212.31 g/mol, XLogP of 2.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dideuterioalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine is sourced from PubChem (CID 154587331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).