potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine

C11H17KNO- — CID 153400782

IUPACpotassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine
SMILESCCOc1[c-]ccc(N(C)C)c1.[CH3-].[K+]
InChIInChI=1S/C10H14NO.CH3.K/c1-4-12-10-7-5-6-9(8-10)11(2)3;;/h5-6,8H,4H2,1-3H3;1H3;/q2*-1;+1
InChIKeyIBQFNTDKOMGPTO-UHFFFAOYSA-N
MW218.36 g/mol
LogP-0.59
Rot. Bonds3

About potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine

potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine (PubChem CID 153400782) has the molecular formula C11H17KNO- and a molecular weight of 218.36 g/mol. Its IUPAC name is potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine.

Molecular Properties

Compound Namepotassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine
PubChem CID153400782
Molecular FormulaC11H17KNO-
Molecular Weight218.36 g/mol
Exact Mass218.10
IUPAC Namepotassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine
SMILESCCOc1[c-]ccc(N(C)C)c1.[CH3-].[K+]
InChIInChI=1S/C10H14NO.CH3.K/c1-4-12-10-7-5-6-9(8-10)11(2)3;;/h5-6,8H,4H2,1-3H3;1H3;/q2*-1;+1
InChIKeyIBQFNTDKOMGPTO-UHFFFAOYSA-N
XLogP-0.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine?
The IUPAC name of potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine (CID 153400782) is potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine.
What is the SMILES notation for potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine?
The canonical SMILES for potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine is CCOc1[c-]ccc(N(C)C)c1.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine?
The InChIKey is IBQFNTDKOMGPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO.CH3.K/c1-4-12-10-7-5-6-9(8-10)11(2)3;;/h5-6,8H,4H2,1-3H3;1H3;/q2*-1;+1.
What are the key properties of potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine?
potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine has a molecular weight of 218.36 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;3-ethoxy-N,N-dimethylbenzene-4-id-1-amine is sourced from PubChem (CID 153400782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).