potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide

C13H19KN2 — CID 15787578

IUPACpotassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
SMILESCC(C)/N=c1\cccccc1[N-]C(C)C.[K+]
InChIInChI=1S/C13H19N2.K/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;/h5-11H,1-4H3;/q-1;+1
InChIKeyRSXGDWLCUVRIQJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP0.41
Rot. Bonds3

About potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide

potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide (PubChem CID 15787578) has the molecular formula C13H19KN2 and a molecular weight of 242.41 g/mol. Its IUPAC name is potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide.

Molecular Properties

Compound Namepotassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
PubChem CID15787578
Molecular FormulaC13H19KN2
Molecular Weight242.41 g/mol
Exact Mass242.12
IUPAC Namepotassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
SMILESCC(C)/N=c1\cccccc1[N-]C(C)C.[K+]
InChIInChI=1S/C13H19N2.K/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;/h5-11H,1-4H3;/q-1;+1
InChIKeyRSXGDWLCUVRIQJ-UHFFFAOYSA-N
XLogP0.41
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
The IUPAC name of potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide (CID 15787578) is potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide.
What is the SMILES notation for potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
The canonical SMILES for potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide is CC(C)/N=c1\cccccc1[N-]C(C)C.[K+].
What is the InChIKey of potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
The InChIKey is RSXGDWLCUVRIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N2.K/c1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;/h5-11H,1-4H3;/q-1;+1.
What are the key properties of potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide?
potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide has a molecular weight of 242.41 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide is sourced from PubChem (CID 15787578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).