(Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine

C13H27AlN2 — CID 148722617

IUPAC(Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
SMILESCC/N=C(C)/C=C(/C)N(CC)[Al](CC)CC
InChIInChI=1S/C9H17N2.2C2H5.Al/c1-5-10-8(3)7-9(4)11-6-2;2*1-2;/h7H,5-6H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b8-7-,11-9+;;;
InChIKeyNZJMHJNPBIRPHP-IDVPCYQJSA-N
MW238.35 g/mol
LogP3.72
Rot. Bonds7

About (Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine

(Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine (PubChem CID 148722617) has the molecular formula C13H27AlN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is (Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
PubChem CID148722617
Molecular FormulaC13H27AlN2
Molecular Weight238.35 g/mol
Exact Mass238.20
IUPAC Name(Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
SMILESCC/N=C(C)/C=C(/C)N(CC)[Al](CC)CC
InChIInChI=1S/C9H17N2.2C2H5.Al/c1-5-10-8(3)7-9(4)11-6-2;2*1-2;/h7H,5-6H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b8-7-,11-9+;;;
InChIKeyNZJMHJNPBIRPHP-IDVPCYQJSA-N
XLogP3.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.72
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

(Z)-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 22857106
dimagnesium;hydride;bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 129892958
manganese(2+);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 162406733
manganese(2+);bis(propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide)
CID 162407548
[(Z)-4-tert-butyliminopent-2-en-2-yl]-methylazanide
CID 58104802
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
CID 58104814
(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
N-ethyl-4-ethyliminopent-2-en-2-amine
CID 72526443
N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560398
N-ethyl-4-methyliminopent-2-en-2-amine
CID 76225419
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
CID 123973310
CID 123973310

Frequently Asked Questions

What is the IUPAC name of (Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine (CID 148722617) is (Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine is CC/N=C(C)/C=C(/C)N(CC)[Al](CC)CC.
What is the InChIKey of (Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The InChIKey is NZJMHJNPBIRPHP-IDVPCYQJSA-N. The full InChI is InChI=1S/C9H17N2.2C2H5.Al/c1-5-10-8(3)7-9(4)11-6-2;2*1-2;/h7H,5-6H2,1-4H3;2*1H2,2H3;/q-1;;;+1/b8-7-,11-9+;;;.
What are the key properties of (Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
(Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine has a molecular weight of 238.35 g/mol, XLogP of 3.72, 7 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-4-ethyliminopent-2-en-2-amine is sourced from PubChem (CID 148722617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).