lithium bis[2-(diethylamino)ethyl]azanide

C12H28LiN3 — CID 100962865

IUPAClithium bis[2-(diethylamino)ethyl]azanide
SMILESCCN(CC)CC[N-]CCN(CC)CC.[Li+]
InChIInChI=1S/C12H28N3.Li/c1-5-14(6-2)11-9-13-10-12-15(7-3)8-4;/h5-12H2,1-4H3;/q-1;+1
InChIKeyLTFAALPRFMHRIK-UHFFFAOYSA-N
MW221.32 g/mol
LogP-0.95
Rot. Bonds10

About lithium bis[2-(diethylamino)ethyl]azanide

lithium bis[2-(diethylamino)ethyl]azanide (PubChem CID 100962865) has the molecular formula C12H28LiN3 and a molecular weight of 221.32 g/mol. Its IUPAC name is lithium bis[2-(diethylamino)ethyl]azanide.

Molecular Properties

Compound Namelithium bis[2-(diethylamino)ethyl]azanide
PubChem CID100962865
Molecular FormulaC12H28LiN3
Molecular Weight221.32 g/mol
Exact Mass221.24
IUPAC Namelithium bis[2-(diethylamino)ethyl]azanide
SMILESCCN(CC)CC[N-]CCN(CC)CC.[Li+]
InChIInChI=1S/C12H28N3.Li/c1-5-14(6-2)11-9-13-10-12-15(7-3)8-4;/h5-12H2,1-4H3;/q-1;+1
InChIKeyLTFAALPRFMHRIK-UHFFFAOYSA-N
XLogP-0.95
TPSA20.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 5-0.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[2-(diethylamino)ethyl]azanide;vanadium
CID 147184537
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
lithium 2-(diethylamino)ethanolate
CID 23694650
2-(diethylamino)ethanethiolate;yttrium
CID 177191246
lithium;N,N-diethylethanamine;hydride
CID 161206277
2-aminoethyl-[2-(diethylamino)ethyl]azanide;cobalt(3+);4-oxoniopent-3-en-2-ylideneoxidanium
CID 3731614
N,N-diethylpropan-1-amine;methane
CID 144711865
N,N-diethylethanamine;ethane
CID 22114990
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
CID 58998211
CID 58998211
trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide
CID 58027832
N,N-diethyl-2-methylsulfonylethanamine
CID 11435289

Frequently Asked Questions

What is the IUPAC name of lithium bis[2-(diethylamino)ethyl]azanide?
The IUPAC name of lithium bis[2-(diethylamino)ethyl]azanide (CID 100962865) is lithium bis[2-(diethylamino)ethyl]azanide.
What is the SMILES notation for lithium bis[2-(diethylamino)ethyl]azanide?
The canonical SMILES for lithium bis[2-(diethylamino)ethyl]azanide is CCN(CC)CC[N-]CCN(CC)CC.[Li+].
What is the InChIKey of lithium bis[2-(diethylamino)ethyl]azanide?
The InChIKey is LTFAALPRFMHRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N3.Li/c1-5-14(6-2)11-9-13-10-12-15(7-3)8-4;/h5-12H2,1-4H3;/q-1;+1.
What are the key properties of lithium bis[2-(diethylamino)ethyl]azanide?
lithium bis[2-(diethylamino)ethyl]azanide has a molecular weight of 221.32 g/mol, XLogP of -0.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis[2-(diethylamino)ethyl]azanide is sourced from PubChem (CID 100962865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).