2-(diethylamino)ethyl-methylazanide;diphenylalumanylium

C19H27AlN2 — CID 19745446

IUPAC2-(diethylamino)ethyl-methylazanide;diphenylalumanylium
SMILESCCN(CC)CC[N-]C.c1ccc([Al+]c2ccccc2)cc1
InChIInChI=1S/C7H17N2.2C6H5.Al/c1-4-9(5-2)7-6-8-3;2*1-2-4-6-5-3-1;/h4-7H2,1-3H3;2*1-5H;/q-1;;;+1
InChIKeyWQCLRSLYQAFMNY-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.67
Rot. Bonds7

About 2-(diethylamino)ethyl-methylazanide;diphenylalumanylium

2-(diethylamino)ethyl-methylazanide;diphenylalumanylium (PubChem CID 19745446) has the molecular formula C19H27AlN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(diethylamino)ethyl-methylazanide;diphenylalumanylium.

Molecular Properties

Compound Name2-(diethylamino)ethyl-methylazanide;diphenylalumanylium
PubChem CID19745446
Molecular FormulaC19H27AlN2
Molecular Weight310.42 g/mol
Exact Mass310.20
IUPAC Name2-(diethylamino)ethyl-methylazanide;diphenylalumanylium
SMILESCCN(CC)CC[N-]C.c1ccc([Al+]c2ccccc2)cc1
InChIInChI=1S/C7H17N2.2C6H5.Al/c1-4-9(5-2)7-6-8-3;2*1-2-4-6-5-3-1;/h4-7H2,1-3H3;2*1-5H;/q-1;;;+1
InChIKeyWQCLRSLYQAFMNY-UHFFFAOYSA-N
XLogP2.67
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl-methylazanide;diphenylalumanylium?
The IUPAC name of 2-(diethylamino)ethyl-methylazanide;diphenylalumanylium (CID 19745446) is 2-(diethylamino)ethyl-methylazanide;diphenylalumanylium.
What is the SMILES notation for 2-(diethylamino)ethyl-methylazanide;diphenylalumanylium?
The canonical SMILES for 2-(diethylamino)ethyl-methylazanide;diphenylalumanylium is CCN(CC)CC[N-]C.c1ccc([Al+]c2ccccc2)cc1.
What is the InChIKey of 2-(diethylamino)ethyl-methylazanide;diphenylalumanylium?
The InChIKey is WQCLRSLYQAFMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2.2C6H5.Al/c1-4-9(5-2)7-6-8-3;2*1-2-4-6-5-3-1;/h4-7H2,1-3H3;2*1-5H;/q-1;;;+1.
What are the key properties of 2-(diethylamino)ethyl-methylazanide;diphenylalumanylium?
2-(diethylamino)ethyl-methylazanide;diphenylalumanylium has a molecular weight of 310.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl-methylazanide;diphenylalumanylium is sourced from PubChem (CID 19745446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).