trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide

C9H21Li3N4 — CID 58027832

IUPACtrilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide
SMILESC[N-]CCN(CC[N-]C)CC[N-]C.[Li+].[Li+].[Li+]
InChIInChI=1S/C9H21N4.3Li/c1-10-4-7-13(8-5-11-2)9-6-12-3;;;/h4-9H2,1-3H3;;;/q-3;3*+1
InChIKeyTYBHZXBFLAJHKZ-UHFFFAOYSA-N
MW206.12 g/mol
LogP-7.69
Rot. Bonds9

About trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide

trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide (PubChem CID 58027832) has the molecular formula C9H21Li3N4 and a molecular weight of 206.12 g/mol. Its IUPAC name is trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide.

Molecular Properties

Compound Nametrilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide
PubChem CID58027832
Molecular FormulaC9H21Li3N4
Molecular Weight206.12 g/mol
Exact Mass206.22
IUPAC Nametrilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide
SMILESC[N-]CCN(CC[N-]C)CC[N-]C.[Li+].[Li+].[Li+]
InChIInChI=1S/C9H21N4.3Li/c1-10-4-7-13(8-5-11-2)9-6-12-3;;;/h4-9H2,1-3H3;;;/q-3;3*+1
InChIKeyTYBHZXBFLAJHKZ-UHFFFAOYSA-N
XLogP-7.69
TPSA45.54 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 5-7.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide?
The IUPAC name of trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide (CID 58027832) is trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide.
What is the SMILES notation for trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide?
The canonical SMILES for trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide is C[N-]CCN(CC[N-]C)CC[N-]C.[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide?
The InChIKey is TYBHZXBFLAJHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N4.3Li/c1-10-4-7-13(8-5-11-2)9-6-12-3;;;/h4-9H2,1-3H3;;;/q-3;3*+1.
What are the key properties of trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide?
trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide has a molecular weight of 206.12 g/mol, XLogP of -7.69, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;2-[bis(2-methylazanidylethyl)amino]ethyl-methylazanide is sourced from PubChem (CID 58027832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).