potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine

C10H19KN- — CID 178170112

IUPACpotassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine
SMILESC=[C-]/C=C\C(N)=C/C.CC.[CH3-].[K+]
InChIInChI=1S/C7H10N.C2H6.CH3.K/c1-3-5-6-7(8)4-2;1-2;;/h4-6H,1,8H2,2H3;1-2H3;1H3;/q-1;;-1;+1/b6-5-,7-4+;;;
InChIKeyOCNOWROHQQOBHH-INXCTXDGSA-N
MW192.37 g/mol
LogP-0.13
Rot. Bonds2

About potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine

potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine (PubChem CID 178170112) has the molecular formula C10H19KN- and a molecular weight of 192.37 g/mol. Its IUPAC name is potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Namepotassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine
PubChem CID178170112
Molecular FormulaC10H19KN-
Molecular Weight192.37 g/mol
Exact Mass192.12
IUPAC Namepotassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine
SMILESC=[C-]/C=C\C(N)=C/C.CC.[CH3-].[K+]
InChIInChI=1S/C7H10N.C2H6.CH3.K/c1-3-5-6-7(8)4-2;1-2;;/h4-6H,1,8H2,2H3;1-2H3;1H3;/q-1;;-1;+1/b6-5-,7-4+;;;
InChIKeyOCNOWROHQQOBHH-INXCTXDGSA-N
XLogP-0.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.37
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine?
The IUPAC name of potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine (CID 178170112) is potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine.
What is the SMILES notation for potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine?
The canonical SMILES for potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine is C=[C-]/C=C\C(N)=C/C.CC.[CH3-].[K+].
What is the InChIKey of potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine?
The InChIKey is OCNOWROHQQOBHH-INXCTXDGSA-N. The full InChI is InChI=1S/C7H10N.C2H6.CH3.K/c1-3-5-6-7(8)4-2;1-2;;/h4-6H,1,8H2,2H3;1-2H3;1H3;/q-1;;-1;+1/b6-5-,7-4+;;;.
What are the key properties of potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine?
potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine has a molecular weight of 192.37 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;ethane;(2E,4Z)-hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 178170112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).