(Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

C15H31AlN2 — CID 154587370

IUPAC(Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESCC[Al](CC)N(/C(C)=C\C(C)=N\C(C)C)C(C)C
InChIInChI=1S/C11H21N2.2C2H5.Al/c1-8(2)12-10(5)7-11(6)13-9(3)4;2*1-2;/h7-9H,1-6H3;2*1H2,2H3;/q-1;;;+1/b10-7-,13-11+;;;
InChIKeyRQYIDDXUMNKUTO-SZCUYHODSA-N
MW266.41 g/mol
LogP4.50
Rot. Bonds7

About (Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

(Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (PubChem CID 154587370) has the molecular formula C15H31AlN2 and a molecular weight of 266.41 g/mol. Its IUPAC name is (Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
PubChem CID154587370
Molecular FormulaC15H31AlN2
Molecular Weight266.41 g/mol
Exact Mass266.23
IUPAC Name(Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESCC[Al](CC)N(/C(C)=C\C(C)=N\C(C)C)C(C)C
InChIInChI=1S/C11H21N2.2C2H5.Al/c1-8(2)12-10(5)7-11(6)13-9(3)4;2*1-2;/h7-9H,1-6H3;2*1H2,2H3;/q-1;;;+1/b10-7-,13-11+;;;
InChIKeyRQYIDDXUMNKUTO-SZCUYHODSA-N
XLogP4.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (CID 154587370) is (Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine is CC[Al](CC)N(/C(C)=C\C(C)=N\C(C)C)C(C)C.
What is the InChIKey of (Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The InChIKey is RQYIDDXUMNKUTO-SZCUYHODSA-N. The full InChI is InChI=1S/C11H21N2.2C2H5.Al/c1-8(2)12-10(5)7-11(6)13-9(3)4;2*1-2;/h7-9H,1-6H3;2*1H2,2H3;/q-1;;;+1/b10-7-,13-11+;;;.
What are the key properties of (Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
(Z)-N-diethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine has a molecular weight of 266.41 g/mol, XLogP of 4.50, 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-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine is sourced from PubChem (CID 154587370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).