potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium

C68H118ClK3N8O8 — CID 160750361

About potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium

potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium (PubChem CID 160750361) has the molecular formula C68H118ClK3N8O8 and a molecular weight of 1328.49 g/mol. Its IUPAC name is potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium.

Molecular Properties

• Compound Name: potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium
• PubChem CID: 160750361
• Molecular Formula: C68H118ClK3N8O8
• Molecular Weight: 1328.49 g/mol
• Exact Mass: 1326.77
• IUPAC Name: potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium
• SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C.CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCOCCOCCN=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C.[H-].[K+].[K][K].[N-]=[N+]=NCCOCCOCCN
• InChI: InChI=1S/C34H58N4O4.C28H45ClO2.C6H14N4O2.3K.H/c1-24(2)7-6-8-25(3)29-11-12-30-28-10-9-26-23-27(13-15-33(26,4)31(28)14-16-34(29,30)5)42-32(39)36-17-19-40-21-22-41-20-18-37-38-35;1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5;7-1-3-11-5-6-12-4-2-9-10-8;;;;/h9,24-25,27-31H,6-8,10-23H2,1-5H3,(H,36,39);9,18-19,21-25H,6-8,10-17H2,1-5H3;1-7H2;;;;/q;;;;;+1;-1/t25-,27+,28+,29-,30-,31+,33+,34-;19-,21+,22+,23-,24-,25+,27+,28-;;;;;/m11...../s1
• InChIKey: YDUMPZWBUSFUML-QXNKMBNESA-N
• XLogP: 13.88
• TPSA: 225.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 29
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1328.49
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium?

The IUPAC name of potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium (CID 160750361) is potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium.

What is the SMILES notation for potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium?

The canonical SMILES for potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium is CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cl)CC[C@]4(C)[C@H]3CC[C@@]21C.CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCOCCOCCN=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C.[H-].[K+].[K][K].[N-]=[N+]=NCCOCCOCCN.

What is the InChIKey of potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium?

The InChIKey is YDUMPZWBUSFUML-QXNKMBNESA-N. The full InChI is InChI=1S/C34H58N4O4.C28H45ClO2.C6H14N4O2.3K.H/c1-24(2)7-6-8-25(3)29-11-12-30-28-10-9-26-23-27(13-15-33(26,4)31(28)14-16-34(29,30)5)42-32(39)36-17-19-40-21-22-41-20-18-37-38-35;1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(31-26(29)30)13-15-27(20,4)25(22)14-16-28(23,24)5;7-1-3-11-5-6-12-4-2-9-10-8;;;;/h9,24-25,27-31H,6-8,10-23H2,1-5H3,(H,36,39);9,18-19,21-25H,6-8,10-17H2,1-5H3;1-7H2;;;;/q;;;;;+1;-1/t25-,27+,28+,29-,30-,31+,33+,34-;19-,21+,22+,23-,24-,25+,27+,28-;;;;;/m11...../s1.

What are the key properties of potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium?

potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium has a molecular weight of 1328.49 g/mol, XLogP of 13.88, 29 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;2-[2-(2-azidoethoxy)ethoxy]ethanamine;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[2-[2-(2-azidoethoxy)ethoxy]ethyl]carbamate;[(3S,8S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] carbonochloridate;hydride;potassiopotassium is sourced from PubChem (CID 160750361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).