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

C11H23AlN2 — CID 154587337

IUPAC(Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
SMILESCC/N=C(C)/C=C(/C)N(CC)[Al](C)C
InChIInChI=1S/C9H17N2.2CH3.Al/c1-5-10-8(3)7-9(4)11-6-2;;;/h7H,5-6H2,1-4H3;2*1H3;/q-1;;;+1/b8-7-,11-9+;;;
InChIKeyTYHJMXSMOZOGDI-IDVPCYQJSA-N
MW210.30 g/mol
LogP2.94
Rot. Bonds5

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

(Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine (PubChem CID 154587337) has the molecular formula C11H23AlN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
PubChem CID154587337
Molecular FormulaC11H23AlN2
Molecular Weight210.30 g/mol
Exact Mass210.17
IUPAC Name(Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
SMILESCC/N=C(C)/C=C(/C)N(CC)[Al](C)C
InChIInChI=1S/C9H17N2.2CH3.Al/c1-5-10-8(3)7-9(4)11-6-2;;;/h7H,5-6H2,1-4H3;2*1H3;/q-1;;;+1/b8-7-,11-9+;;;
InChIKeyTYHJMXSMOZOGDI-IDVPCYQJSA-N
XLogP2.94
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine (CID 154587337) is (Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine is CC/N=C(C)/C=C(/C)N(CC)[Al](C)C.
What is the InChIKey of (Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
The InChIKey is TYHJMXSMOZOGDI-IDVPCYQJSA-N. The full InChI is InChI=1S/C9H17N2.2CH3.Al/c1-5-10-8(3)7-9(4)11-6-2;;;/h7H,5-6H2,1-4H3;2*1H3;/q-1;;;+1/b8-7-,11-9+;;;.
What are the key properties of (Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine?
(Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine has a molecular weight of 210.30 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dimethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine is sourced from PubChem (CID 154587337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).