cesium methyl-[(4-methylphenyl)methyl]azanide

C9H12CsN — CID 144858406

IUPACcesium methyl-[(4-methylphenyl)methyl]azanide
SMILESC[N-]Cc1ccc(C)cc1.[Cs+]
InChIInChI=1S/C9H12N.Cs/c1-8-3-5-9(6-4-8)7-10-2;/h3-6H,7H2,1-2H3;/q-1;+1
InChIKeyIJKAKEBGXWOACB-UHFFFAOYSA-N
MW267.11 g/mol
LogP-0.50
Rot. Bonds2

About cesium methyl-[(4-methylphenyl)methyl]azanide

cesium methyl-[(4-methylphenyl)methyl]azanide (PubChem CID 144858406) has the molecular formula C9H12CsN and a molecular weight of 267.11 g/mol. Its IUPAC name is cesium methyl-[(4-methylphenyl)methyl]azanide.

Molecular Properties

Compound Namecesium methyl-[(4-methylphenyl)methyl]azanide
PubChem CID144858406
Molecular FormulaC9H12CsN
Molecular Weight267.11 g/mol
Exact Mass267.00
IUPAC Namecesium methyl-[(4-methylphenyl)methyl]azanide
SMILESC[N-]Cc1ccc(C)cc1.[Cs+]
InChIInChI=1S/C9H12N.Cs/c1-8-3-5-9(6-4-8)7-10-2;/h3-6H,7H2,1-2H3;/q-1;+1
InChIKeyIJKAKEBGXWOACB-UHFFFAOYSA-N
XLogP-0.50
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cesium methyl-[(4-methylphenyl)methyl]azanide?
The IUPAC name of cesium methyl-[(4-methylphenyl)methyl]azanide (CID 144858406) is cesium methyl-[(4-methylphenyl)methyl]azanide.
What is the SMILES notation for cesium methyl-[(4-methylphenyl)methyl]azanide?
The canonical SMILES for cesium methyl-[(4-methylphenyl)methyl]azanide is C[N-]Cc1ccc(C)cc1.[Cs+].
What is the InChIKey of cesium methyl-[(4-methylphenyl)methyl]azanide?
The InChIKey is IJKAKEBGXWOACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Cs/c1-8-3-5-9(6-4-8)7-10-2;/h3-6H,7H2,1-2H3;/q-1;+1.
What are the key properties of cesium methyl-[(4-methylphenyl)methyl]azanide?
cesium methyl-[(4-methylphenyl)methyl]azanide has a molecular weight of 267.11 g/mol, XLogP of -0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cesium methyl-[(4-methylphenyl)methyl]azanide is sourced from PubChem (CID 144858406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).