tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one

C90H143ClN18O14S2 — CID 159375558

About tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one

tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one (PubChem CID 159375558) has the molecular formula C90H143ClN18O14S2 and a molecular weight of 1800.83 g/mol. Its IUPAC name is tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one
• PubChem CID: 159375558
• Molecular Formula: C90H143ClN18O14S2
• Molecular Weight: 1800.83 g/mol
• Exact Mass: 1799.02
• IUPAC Name: tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one
• SMILES: CC(C)(C)OC(=O)NCCN.CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Cl)nc3N1C2.CC1(CC=O)CC1.CC1(CCN2CCN(c3ccc4c(n3)N3C[C@@H](CCCNc5cccc(n5)S(=O)(=O)NC4=O)CC3(C)C)C2=O)CC1.CC1(CCN2CCNC2=O)CC1.CC1(CCNCCNC(=O)OC(C)(C)C)CC1.CC1(CCO)CC1
• InChI: InChI=1S/C29H39N7O4S.C20H24ClN5O3S.C13H26N2O2.C9H16N2O.C7H16N2O2.C6H12O.C6H10O/c1-28(2)18-20-6-5-14-30-22-7-4-8-24(31-22)41(39,40)33-26(37)21-9-10-23(32-25(21)36(28)19-20)35-17-16-34(27(35)38)15-13-29(3)11-12-29;1-20(2)11-13-5-4-10-22-16-6-3-7-17(24-16)30(28,29)25-19(27)14-8-9-15(21)23-18(14)26(20)12-13;1-12(2,3)17-11(16)15-10-9-14-8-7-13(4)5-6-13;1-9(2-3-9)4-6-11-7-5-10-8(11)12;1-7(2,3)11-6(10)9-5-4-8;2*1-6(2-3-6)4-5-7/h4,7-10,20H,5-6,11-19H2,1-3H3,(H,30,31)(H,33,37);3,6-9,13H,4-5,10-12H2,1-2H3,(H,22,24)(H,25,27);14H,5-10H2,1-4H3,(H,15,16);2-7H2,1H3,(H,10,12);4-5,8H2,1-3H3,(H,9,10);7H,2-5H2,1H3;5H,2-4H2,1H3/t20-;13-;;;;;/m00...../s1
• InChIKey: LKGPROPIHFEAMA-JNCXKICUSA-N
• XLogP: 13.40
• TPSA: 416.48 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 19
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1800.83
LogP ≤ 5	13.40
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one?

The IUPAC name of tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one (CID 159375558) is tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one.

What is the SMILES notation for tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one?

The canonical SMILES for tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one is CC(C)(C)OC(=O)NCCN.CC1(C)C[C@@H]2CCCNc3cccc(n3)S(=O)(=O)NC(=O)c3ccc(Cl)nc3N1C2.CC1(CC=O)CC1.CC1(CCN2CCN(c3ccc4c(n3)N3C[C@@H](CCCNc5cccc(n5)S(=O)(=O)NC4=O)CC3(C)C)C2=O)CC1.CC1(CCN2CCNC2=O)CC1.CC1(CCNCCNC(=O)OC(C)(C)C)CC1.CC1(CCO)CC1.

What is the InChIKey of tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one?

The InChIKey is LKGPROPIHFEAMA-JNCXKICUSA-N. The full InChI is InChI=1S/C29H39N7O4S.C20H24ClN5O3S.C13H26N2O2.C9H16N2O.C7H16N2O2.C6H12O.C6H10O/c1-28(2)18-20-6-5-14-30-22-7-4-8-24(31-22)41(39,40)33-26(37)21-9-10-23(32-25(21)36(28)19-20)35-17-16-34(27(35)38)15-13-29(3)11-12-29;1-20(2)11-13-5-4-10-22-16-6-3-7-17(24-16)30(28,29)25-19(27)14-8-9-15(21)23-18(14)26(20)12-13;1-12(2,3)17-11(16)15-10-9-14-8-7-13(4)5-6-13;1-9(2-3-9)4-6-11-7-5-10-8(11)12;1-7(2,3)11-6(10)9-5-4-8;2*1-6(2-3-6)4-5-7/h4,7-10,20H,5-6,11-19H2,1-3H3,(H,30,31)(H,33,37);3,6-9,13H,4-5,10-12H2,1-2H3,(H,22,24)(H,25,27);14H,5-10H2,1-4H3,(H,15,16);2-7H2,1H3,(H,10,12);4-5,8H2,1-3H3,(H,9,10);7H,2-5H2,1H3;5H,2-4H2,1H3/t20-;13-;;;;;/m00...../s1.

What are the key properties of tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one?

tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one has a molecular weight of 1800.83 g/mol, XLogP of 13.40, 19 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(2-aminoethyl)carbamate;tert-butyl N-[2-[2-(1-methylcyclopropyl)ethylamino]ethyl]carbamate;(14S)-8-chloro-12,12-dimethyl-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;(14S)-12,12-dimethyl-8-[3-[2-(1-methylcyclopropyl)ethyl]-2-oxoimidazolidin-1-yl]-2,2-dioxo-2λ6-thia-3,9,11,18,23-pentazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5(10),6,8,19(23),20-hexaen-4-one;2-(1-methylcyclopropyl)acetaldehyde;2-(1-methylcyclopropyl)ethanol;1-[2-(1-methylcyclopropyl)ethyl]imidazolidin-2-one is sourced from PubChem (CID 159375558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).