1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline

C134H163N7O28 — CID 159421358

About 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline

1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline (PubChem CID 159421358) has the molecular formula C134H163N7O28 and a molecular weight of 2319.80 g/mol. Its IUPAC name is 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline.

Molecular Properties

• Compound Name: 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline
• PubChem CID: 159421358
• Molecular Formula: C134H163N7O28
• Molecular Weight: 2319.80 g/mol
• Exact Mass: 2318.15
• IUPAC Name: 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline
• SMILES: C.CC(C)(c1ccc(OCC2CC2)cc1)c1ccc(OCC2CO2)cc1.O=C1CC(C2CC3C(=O)CC(=O)C3c3ccccc32)C(=O)O1.O=c1n(CC2CC2)c(=O)n(CC2CO2)c(=O)n1CC1CO1.OC(COCC1CC1)COCC1CO1.c1cc(N(CC2CC2)CC2CO2)ccc1Cc1ccc(N(CC2CC2)CC2CO2)cc1.c1cc(N(CC2CC2)CC2CO2)ccc1OCC1CO1.c1cc(N(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)ccc1OCCC1CO1
• InChI: InChI=1S/C28H29NO6.C27H34N2O2.C22H26O3.C17H14O5.C16H21NO3.C13H17N3O5.C10H18O4.CH4/c1-7-23(30-14-13-26-15-33-26)8-2-20(1)29(21-3-9-24(10-4-21)31-16-27-18-34-27)22-5-11-25(12-6-22)32-17-28-19-35-28;1-2-22(1)14-28(16-26-18-30-26)24-9-5-20(6-10-24)13-21-7-11-25(12-8-21)29(15-23-3-4-23)17-27-19-31-27;1-22(2,17-5-9-19(10-6-17)23-13-16-3-4-16)18-7-11-20(12-8-18)24-14-21-15-25-21;18-13-7-14(19)16-9-4-2-1-3-8(9)10(5-12(13)16)11-6-15(20)22-17(11)21;1-2-12(1)7-17(8-15-9-19-15)13-3-5-14(6-4-13)18-10-16-11-20-16;17-11-14(3-8-1-2-8)12(18)16(5-10-7-21-10)13(19)15(11)4-9-6-20-9;11-9(4-12-3-8-1-2-8)5-13-6-10-7-14-10;/h1-12,26-28H,13-19H2;5-12,22-23,26-27H,1-4,13-19H2;5-12,16,21H,3-4,13-15H2,1-2H3;1-4,10-12,16H,5-7H2;3-6,12,15-16H,1-2,7-11H2;8-10H,1-7H2;8-11H,1-7H2;1H4
• InChIKey: LPUREOTWEVDYSD-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 388.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 35
• Rotatable Bonds: 56
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2319.80
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline?

The IUPAC name of 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline (CID 159421358) is 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline.

What is the SMILES notation for 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline?

The canonical SMILES for 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline is C.CC(C)(c1ccc(OCC2CC2)cc1)c1ccc(OCC2CO2)cc1.O=C1CC(C2CC3C(=O)CC(=O)C3c3ccccc32)C(=O)O1.O=c1n(CC2CC2)c(=O)n(CC2CO2)c(=O)n1CC1CO1.OC(COCC1CC1)COCC1CO1.c1cc(N(CC2CC2)CC2CO2)ccc1Cc1ccc(N(CC2CC2)CC2CO2)cc1.c1cc(N(CC2CC2)CC2CO2)ccc1OCC1CO1.c1cc(N(c2ccc(OCC3CO3)cc2)c2ccc(OCC3CO3)cc2)ccc1OCCC1CO1.

What is the InChIKey of 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline?

The InChIKey is LPUREOTWEVDYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO6.C27H34N2O2.C22H26O3.C17H14O5.C16H21NO3.C13H17N3O5.C10H18O4.CH4/c1-7-23(30-14-13-26-15-33-26)8-2-20(1)29(21-3-9-24(10-4-21)31-16-27-18-34-27)22-5-11-25(12-6-22)32-17-28-19-35-28;1-2-22(1)14-28(16-26-18-30-26)24-9-5-20(6-10-24)13-21-7-11-25(12-8-21)29(15-23-3-4-23)17-27-19-31-27;1-22(2,17-5-9-19(10-6-17)23-13-16-3-4-16)18-7-11-20(12-8-18)24-14-21-15-25-21;18-13-7-14(19)16-9-4-2-1-3-8(9)10(5-12(13)16)11-6-15(20)22-17(11)21;1-2-12(1)7-17(8-15-9-19-15)13-3-5-14(6-4-13)18-10-16-11-20-16;17-11-14(3-8-1-2-8)12(18)16(5-10-7-21-10)13(19)15(11)4-9-6-20-9;11-9(4-12-3-8-1-2-8)5-13-6-10-7-14-10;/h1-12,26-28H,13-19H2;5-12,22-23,26-27H,1-4,13-19H2;5-12,16,21H,3-4,13-15H2,1-2H3;1-4,10-12,16H,5-7H2;3-6,12,15-16H,1-2,7-11H2;8-10H,1-7H2;8-11H,1-7H2;1H4.

What are the key properties of 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline?

1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline has a molecular weight of 2319.80 g/mol, XLogP of 16.76, 56 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethoxy)-3-(oxiran-2-ylmethoxy)propan-2-ol;2-[[4-[2-[4-(cyclopropylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane;1-(cyclopropylmethyl)-3,5-bis(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione;N-(cyclopropylmethyl)-4-[[4-[cyclopropylmethyl(oxiran-2-ylmethyl)amino]phenyl]methyl]-N-(oxiran-2-ylmethyl)aniline;N-(cyclopropylmethyl)-4-(oxiran-2-ylmethoxy)-N-(oxiran-2-ylmethyl)aniline;3-(1,3-dioxo-3a,4,5,9b-tetrahydrocyclopenta[a]naphthalen-5-yl)oxolane-2,5-dione;methane;4-[2-(oxiran-2-yl)ethoxy]-N,N-bis[4-(oxiran-2-ylmethoxy)phenyl]aniline is sourced from PubChem (CID 159421358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).