N,N-diethylethanamine;thallium(1+);hydroxide

C6H16NOTl — CID 174838347

IUPACN,N-diethylethanamine;thallium(1+);hydroxide
SMILESCCN(CC)CC.[OH-].[Tl+]
InChIInChI=1S/C6H15N.H2O.Tl/c1-4-7(5-2)6-3;;/h4-6H2,1-3H3;1H2;/q;;+1/p-1
InChIKeyJWUKZHCKVVDIGG-UHFFFAOYSA-M
MW322.58 g/mol
LogP0.79
Rot. Bonds3

About N,N-diethylethanamine;thallium(1+);hydroxide

N,N-diethylethanamine;thallium(1+);hydroxide (PubChem CID 174838347) has the molecular formula C6H16NOTl and a molecular weight of 322.58 g/mol. Its IUPAC name is N,N-diethylethanamine;thallium(1+);hydroxide.

Molecular Properties

Compound NameN,N-diethylethanamine;thallium(1+);hydroxide
PubChem CID174838347
Molecular FormulaC6H16NOTl
Molecular Weight322.58 g/mol
Exact Mass323.10
IUPAC NameN,N-diethylethanamine;thallium(1+);hydroxide
SMILESCCN(CC)CC.[OH-].[Tl+]
InChIInChI=1S/C6H15N.H2O.Tl/c1-4-7(5-2)6-3;;/h4-6H2,1-3H3;1H2;/q;;+1/p-1
InChIKeyJWUKZHCKVVDIGG-UHFFFAOYSA-M
XLogP0.79
TPSA33.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.58
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;thallium(1+);hydroxide?
The IUPAC name of N,N-diethylethanamine;thallium(1+);hydroxide (CID 174838347) is N,N-diethylethanamine;thallium(1+);hydroxide.
What is the SMILES notation for N,N-diethylethanamine;thallium(1+);hydroxide?
The canonical SMILES for N,N-diethylethanamine;thallium(1+);hydroxide is CCN(CC)CC.[OH-].[Tl+].
What is the InChIKey of N,N-diethylethanamine;thallium(1+);hydroxide?
The InChIKey is JWUKZHCKVVDIGG-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15N.H2O.Tl/c1-4-7(5-2)6-3;;/h4-6H2,1-3H3;1H2;/q;;+1/p-1.
What are the key properties of N,N-diethylethanamine;thallium(1+);hydroxide?
N,N-diethylethanamine;thallium(1+);hydroxide has a molecular weight of 322.58 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;thallium(1+);hydroxide is sourced from PubChem (CID 174838347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).