potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene

C29H45KN4O-2 — CID 153348447

IUPACpotassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene
SMILESC=CC.[CH3-].[H]/[C-]=C(/C=[N-])c1ccc(/C(CC)=N/C=C(\C)N(C)C2CC(C)(C)NC(C)(C)C2)c(O)c1.[K+]
InChIInChI=1S/C25H36N4O.C3H6.CH3.K/c1-9-22(21-11-10-19(12-23(21)30)17(2)15-26)27-16-18(3)29(8)20-13-24(4,5)28-25(6,7)14-20;1-3-2;;/h2,10-12,15-16,20,28,30H,9,13-14H2,1,3-8H3;3H,1H2,2H3;1H3;/q-2;;-1;+1/b18-16+,27-22+;;;
InChIKeyTYDQOVAWHBYTBA-HBFSYTNISA-N
MW504.80 g/mol
LogP3.80
Rot. Bonds7

About potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene

potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene (PubChem CID 153348447) has the molecular formula C29H45KN4O-2 and a molecular weight of 504.80 g/mol. Its IUPAC name is potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene.

Molecular Properties

Compound Namepotassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene
PubChem CID153348447
Molecular FormulaC29H45KN4O-2
Molecular Weight504.80 g/mol
Exact Mass504.32
IUPAC Namepotassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene
SMILESC=CC.[CH3-].[H]/[C-]=C(/C=[N-])c1ccc(/C(CC)=N/C=C(\C)N(C)C2CC(C)(C)NC(C)(C)C2)c(O)c1.[K+]
InChIInChI=1S/C25H36N4O.C3H6.CH3.K/c1-9-22(21-11-10-19(12-23(21)30)17(2)15-26)27-16-18(3)29(8)20-13-24(4,5)28-25(6,7)14-20;1-3-2;;/h2,10-12,15-16,20,28,30H,9,13-14H2,1,3-8H3;3H,1H2,2H3;1H3;/q-2;;-1;+1/b18-16+,27-22+;;;
InChIKeyTYDQOVAWHBYTBA-HBFSYTNISA-N
XLogP3.80
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.80
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene with MolForge

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Related Compounds

2-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-5-(1H-pyrazol-4-yl)phenol
CID 153348488
N-[(E)-1-[1-[5-chloro-2-ethyl-4-(1H-pyrazol-4-yl)phenyl]prop-2-enylideneamino]prop-1-en-2-yl]-N,2,2,6,6-pentamethylpiperidin-4-amine
CID 153348442
2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-5-fluorophenol
CID 167227795
3-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]naphthalen-2-ol
CID 167227450
2-[(1Z,3E)-1,4-diamino-4-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]buta-1,3-dienyl]-4,5-difluorophenol
CID 146238310
(Z)-4-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-2-fluorophenyl]-4-imino-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)but-2-enimidamide
CID 145330517
[N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl] 3-hydroxynaphthalene-2-carboximidothioate
CID 145330514
N-[(E)-1-[2-hydroxy-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]prop-2-enylideneamino]-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanimidamide
CID 153348828
4-[(E)-2-methylbut-1-enyl]-5-(methylideneamino)-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]phenol
CID 137389769
[N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl] 3,6-dihydroxynaphthalene-2-carboximidothioate
CID 137197296
ethane;5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 153348732
[N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)carbamimidoyl] 4-(3-aminopyrazol-1-yl)-2-hydroxybenzenecarboximidothioate
CID 146292410

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene?
The IUPAC name of potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene (CID 153348447) is potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene.
What is the SMILES notation for potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene?
The canonical SMILES for potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene is C=CC.[CH3-].[H]/[C-]=C(/C=[N-])c1ccc(/C(CC)=N/C=C(\C)N(C)C2CC(C)(C)NC(C)(C)C2)c(O)c1.[K+].
What is the InChIKey of potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene?
The InChIKey is TYDQOVAWHBYTBA-HBFSYTNISA-N. The full InChI is InChI=1S/C25H36N4O.C3H6.CH3.K/c1-9-22(21-11-10-19(12-23(21)30)17(2)15-26)27-16-18(3)29(8)20-13-24(4,5)28-25(6,7)14-20;1-3-2;;/h2,10-12,15-16,20,28,30H,9,13-14H2,1,3-8H3;3H,1H2,2H3;1H3;/q-2;;-1;+1/b18-16+,27-22+;;;.
What are the key properties of potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene?
potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene has a molecular weight of 504.80 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;2-[4-[C-ethyl-N-[(E)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]prop-1-enyl]carbonimidoyl]-3-hydroxyphenyl]prop-2-enylideneazanide;prop-1-ene is sourced from PubChem (CID 153348447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).