2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide

C34H62IN2O2+ — CID 159737418

About 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide

2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide (PubChem CID 159737418) has the molecular formula C34H62IN2O2+ and a molecular weight of 657.79 g/mol. Its IUPAC name is 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide.

Molecular Properties

• Compound Name: 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide
• PubChem CID: 159737418
• Molecular Formula: C34H62IN2O2+
• Molecular Weight: 657.79 g/mol
• Exact Mass: 657.39
• IUPAC Name: 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide
• SMILES: CC[N+](C)(C)CCNC(=O)OC1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1.I
• InChI: InChI=1S/C34H60N2O2.HI/c1-9-36(7,8)22-21-35-32(37)38-27-17-19-33(5)26(23-27)13-14-28-30-16-15-29(25(4)12-10-11-24(2)3)34(30,6)20-18-31(28)33;/h13,24-25,27-31H,9-12,14-23H2,1-8H3;1H/p+1/t25-,27?,28+,29-,30+,31+,33+,34-;/m1./s1
• InChIKey: OPVXKMVPIDQVIA-MPQLMBBASA-O
• XLogP: 8.84
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.79
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide?

The IUPAC name of 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide (CID 159737418) is 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide.

What is the SMILES notation for 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide?

The canonical SMILES for 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide is CC[N+](C)(C)CCNC(=O)OC1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1.I.

What is the InChIKey of 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide?

The InChIKey is OPVXKMVPIDQVIA-MPQLMBBASA-O. The full InChI is InChI=1S/C34H60N2O2.HI/c1-9-36(7,8)22-21-35-32(37)38-27-17-19-33(5)26(23-27)13-14-28-30-16-15-29(25(4)12-10-11-24(2)3)34(30,6)20-18-31(28)33;/h13,24-25,27-31H,9-12,14-23H2,1-8H3;1H/p+1/t25-,27?,28+,29-,30+,31+,33+,34-;/m1./s1.

What are the key properties of 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide?

2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide has a molecular weight of 657.79 g/mol, XLogP of 8.84, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(8S,9S,10R,13R,14S,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]oxycarbonylamino]ethyl-ethyl-dimethylazanium;hydroiodide is sourced from PubChem (CID 159737418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).