tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride

C152H237Cl2N9O15S6-6 — CID 159979007

About tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride

tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride (PubChem CID 159979007) has the molecular formula C152H237Cl2N9O15S6-6 and a molecular weight of 2693.92 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride
• PubChem CID: 159979007
• Molecular Formula: C152H237Cl2N9O15S6-6
• Molecular Weight: 2693.92 g/mol
• Exact Mass: 2690.58
• IUPAC Name: tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride
• SMILES: CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCC(CCc2ccc(-n3ccc4ccccc43)cc2)CC1.CC1CCC(CCc2ccc(-n3cccn3)cc2)CC1.CC1CCC(CCc2ccc(N3CCC(N)C3)cc2)CC1.CC1CCC(CCc2ccc(N3CCC(NC(=O)OC(C)(C)C)C3)cc2)CC1.CC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1.CC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.Cl.Cl
• InChI: InChI=1S/C24H38N2O2.C23H29N.C23H27N.C21H33NO.C19H30N2.C18H24N2.6C4H10O2S.2ClH/c1-18-5-7-19(8-6-18)9-10-20-11-13-22(14-12-20)26-16-15-21(17-26)25-23(27)28-24(2,3)4;2*1-18-6-8-19(9-7-18)10-11-20-12-14-22(15-13-20)24-17-16-21-4-2-3-5-23(21)24;1-16-4-6-19(7-5-16)8-9-20-10-12-21(13-11-20)22-14-17(2)23-18(3)15-22;1-15-2-4-16(5-3-15)6-7-17-8-10-19(11-9-17)21-13-12-18(20)14-21;1-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)20-14-2-13-19-20;6*1-4(2,3)7(5)6;;/h11-14,18-19,21H,5-10,15-17H2,1-4H3,(H,25,27);2-5,12-15,18-19H,6-11,16-17H2,1H3;2-5,12-19H,6-11H2,1H3;10-13,16-19H,4-9,14-15H2,1-3H3;8-11,15-16,18H,2-7,12-14,20H2,1H3;2,9-16H,3-8H2,1H3;6*1-3H3,(H,5,6);2*1H/p-6/t;;;16?,17-,18+,19?
• InChIKey: TVMPLFORPOUKKZ-FDPKSQOHSA-H
• XLogP: 36.58
• TPSA: 350.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2693.92
LogP ≤ 5	36.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride?

The IUPAC name of tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride (CID 159979007) is tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride.

What is the SMILES notation for tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride?

The canonical SMILES for tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride is CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC(C)(C)S(=O)[O-].CC1CCC(CCc2ccc(-n3ccc4ccccc43)cc2)CC1.CC1CCC(CCc2ccc(-n3cccn3)cc2)CC1.CC1CCC(CCc2ccc(N3CCC(N)C3)cc2)CC1.CC1CCC(CCc2ccc(N3CCC(NC(=O)OC(C)(C)C)C3)cc2)CC1.CC1CCC(CCc2ccc(N3CCc4ccccc43)cc2)CC1.CC1CCC(CCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)cc2)CC1.Cl.Cl.

What is the InChIKey of tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride?

The InChIKey is TVMPLFORPOUKKZ-FDPKSQOHSA-H. The full InChI is InChI=1S/C24H38N2O2.C23H29N.C23H27N.C21H33NO.C19H30N2.C18H24N2.6C4H10O2S.2ClH/c1-18-5-7-19(8-6-18)9-10-20-11-13-22(14-12-20)26-16-15-21(17-26)25-23(27)28-24(2,3)4;2*1-18-6-8-19(9-7-18)10-11-20-12-14-22(15-13-20)24-17-16-21-4-2-3-5-23(21)24;1-16-4-6-19(7-5-16)8-9-20-10-12-21(13-11-20)22-14-17(2)23-18(3)15-22;1-15-2-4-16(5-3-15)6-7-17-8-10-19(11-9-17)21-13-12-18(20)14-21;1-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)20-14-2-13-19-20;6*1-4(2,3)7(5)6;;/h11-14,18-19,21H,5-10,15-17H2,1-4H3,(H,25,27);2-5,12-15,18-19H,6-11,16-17H2,1H3;2-5,12-19H,6-11H2,1H3;10-13,16-19H,4-9,14-15H2,1-3H3;8-11,15-16,18H,2-7,12-14,20H2,1H3;2,9-16H,3-8H2,1H3;6*1-3H3,(H,5,6);2*1H/p-6/t;;;16?,17-,18+,19?;;;;;;;;;;.

What are the key properties of tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride?

tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride has a molecular weight of 2693.92 g/mol, XLogP of 36.58, 25 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-yl]carbamate;(2R,6S)-2,6-dimethyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]morpholine;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-2,3-dihydroindole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]indole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrazole;1-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]pyrrolidin-3-amine;hexakis(2-methylpropane-2-sulfinate);dihydrochloride is sourced from PubChem (CID 159979007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).