lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide

C12H22F3LiN4O2 — CID 142216035

IUPAClithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide
SMILESCC(C)CN([NH-])CC(=O)N(CC(C)C)NC(=O)C(F)(F)F.[Li+]
InChIInChI=1S/C12H22F3N4O2.Li/c1-8(2)5-18(16)7-10(20)19(6-9(3)4)17-11(21)12(13,14)15;/h8-9,16H,5-7H2,1-4H3,(H,17,21);/q-1;+1
InChIKeyXIHDXOPRZFOLGY-UHFFFAOYSA-N
MW318.27 g/mol
LogP-1.01
Rot. Bonds6

About lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide

lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide (PubChem CID 142216035) has the molecular formula C12H22F3LiN4O2 and a molecular weight of 318.27 g/mol. Its IUPAC name is lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide.

Molecular Properties

Compound Namelithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide
PubChem CID142216035
Molecular FormulaC12H22F3LiN4O2
Molecular Weight318.27 g/mol
Exact Mass318.19
IUPAC Namelithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide
SMILESCC(C)CN([NH-])CC(=O)N(CC(C)C)NC(=O)C(F)(F)F.[Li+]
InChIInChI=1S/C12H22F3N4O2.Li/c1-8(2)5-18(16)7-10(20)19(6-9(3)4)17-11(21)12(13,14)15;/h8-9,16H,5-7H2,1-4H3,(H,17,21);/q-1;+1
InChIKeyXIHDXOPRZFOLGY-UHFFFAOYSA-N
XLogP-1.01
TPSA76.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide?
The IUPAC name of lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide (CID 142216035) is lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide.
What is the SMILES notation for lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide?
The canonical SMILES for lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide is CC(C)CN([NH-])CC(=O)N(CC(C)C)NC(=O)C(F)(F)F.[Li+].
What is the InChIKey of lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide?
The InChIKey is XIHDXOPRZFOLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N4O2.Li/c1-8(2)5-18(16)7-10(20)19(6-9(3)4)17-11(21)12(13,14)15;/h8-9,16H,5-7H2,1-4H3,(H,17,21);/q-1;+1.
What are the key properties of lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide?
lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide has a molecular weight of 318.27 g/mol, XLogP of -1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [2-methylpropyl-[2-[2-methylpropyl-[(2,2,2-trifluoroacetyl)amino]amino]-2-oxoethyl]amino]azanide is sourced from PubChem (CID 142216035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).