potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine

C12H15KN- — CID 155749281

IUPACpotassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine
SMILESCCCC/[C-]=N/c1[c-]ccc(C)c1.[K+]
InChIInChI=1S/C12H15N.K/c1-3-4-5-9-13-12-8-6-7-11(2)10-12;/h6-7,10H,3-5H2,1-2H3;/q-2;+1
InChIKeyTWZMWYRVMRSFPP-UHFFFAOYSA-N
MW212.36 g/mol
LogP0.57
Rot. Bonds4

About potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine

potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine (PubChem CID 155749281) has the molecular formula C12H15KN- and a molecular weight of 212.36 g/mol. Its IUPAC name is potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine.

Molecular Properties

Compound Namepotassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine
PubChem CID155749281
Molecular FormulaC12H15KN-
Molecular Weight212.36 g/mol
Exact Mass212.08
IUPAC Namepotassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine
SMILESCCCC/[C-]=N/c1[c-]ccc(C)c1.[K+]
InChIInChI=1S/C12H15N.K/c1-3-4-5-9-13-12-8-6-7-11(2)10-12;/h6-7,10H,3-5H2,1-2H3;/q-2;+1
InChIKeyTWZMWYRVMRSFPP-UHFFFAOYSA-N
XLogP0.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine?
The IUPAC name of potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine (CID 155749281) is potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine.
What is the SMILES notation for potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine?
The canonical SMILES for potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine is CCCC/[C-]=N/c1[c-]ccc(C)c1.[K+].
What is the InChIKey of potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine?
The InChIKey is TWZMWYRVMRSFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.K/c1-3-4-5-9-13-12-8-6-7-11(2)10-12;/h6-7,10H,3-5H2,1-2H3;/q-2;+1.
What are the key properties of potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine?
potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine has a molecular weight of 212.36 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-(3-methylbenzene-6-id-1-yl)pentan-1-imine is sourced from PubChem (CID 155749281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).