N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine

C101H145Br8Cl6N5O19 — CID 91548140

IUPACN-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine
SMILESCC(C)=NOCCOCCCCCOc1c(C)cc(OCC=C(Br)Br)cc1C.CC(C)=NOCCOCCCCCOc1c(Cl)cc(OCC=C(Br)Br)cc1Cl.CCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl.CCc1cc(OCC=C(Br)Br)cc(CC)c1OCCCCCOCCON=C(C)C.CCc1cc(OCC=C(Br)Br)cc(CC)c1OCCCCOCCON=C(C)C.CON=C(C)C
InChIInChI=1S/C23H35Br2NO4.C22H33Br2NO4.C21H31Br2NO4.C19H25Br2Cl2NO4.C12H12Cl4O2.C4H9NO/c1-5-19-16-21(28-13-10-22(24)25)17-20(6-2)23(19)29-12-9-7-8-11-27-14-15-30-26-18(3)4;1-5-18-15-20(27-12-9-21(23)24)16-19(6-2)22(18)28-11-8-7-10-26-13-14-29-25-17(3)4;1-16(2)24-28-13-12-25-9-6-5-7-10-27-21-17(3)14-19(15-18(21)4)26-11-8-20(22)23;1-14(2)24-28-11-10-25-7-4-3-5-8-27-19-16(22)12-15(13-17(19)23)26-9-6-18(20)21;1-2-4-18-12-9(13)6-8(7-10(12)14)17-5-3-11(15)16;1-4(2)5-6-3/h10,16-17H,5-9,11-15H2,1-4H3;9,15-16H,5-8,10-14H2,1-4H3;8,14-15H,5-7,9-13H2,1-4H3;6,12-13H,3-5,7-11H2,1-2H3;3,6-7H,2,4-5H2,1H3;1-3H3
InChIKeyKUJSFVKYUPVVSX-UHFFFAOYSA-N
MW2585.24 g/mol
LogP32.99
Rot. Bonds66

About N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine

N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine (PubChem CID 91548140) has the molecular formula C101H145Br8Cl6N5O19 and a molecular weight of 2585.24 g/mol. Its IUPAC name is N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine.

Molecular Properties

Compound NameN-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine
PubChem CID91548140
Molecular FormulaC101H145Br8Cl6N5O19
Molecular Weight2585.24 g/mol
Exact Mass2573.21
IUPAC NameN-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine
SMILESCC(C)=NOCCOCCCCCOc1c(C)cc(OCC=C(Br)Br)cc1C.CC(C)=NOCCOCCCCCOc1c(Cl)cc(OCC=C(Br)Br)cc1Cl.CCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl.CCc1cc(OCC=C(Br)Br)cc(CC)c1OCCCCCOCCON=C(C)C.CCc1cc(OCC=C(Br)Br)cc(CC)c1OCCCCOCCON=C(C)C.CON=C(C)C
InChIInChI=1S/C23H35Br2NO4.C22H33Br2NO4.C21H31Br2NO4.C19H25Br2Cl2NO4.C12H12Cl4O2.C4H9NO/c1-5-19-16-21(28-13-10-22(24)25)17-20(6-2)23(19)29-12-9-7-8-11-27-14-15-30-26-18(3)4;1-5-18-15-20(27-12-9-21(23)24)16-19(6-2)22(18)28-11-8-7-10-26-13-14-29-25-17(3)4;1-16(2)24-28-13-12-25-9-6-5-7-10-27-21-17(3)14-19(15-18(21)4)26-11-8-20(22)23;1-14(2)24-28-11-10-25-7-4-3-5-8-27-19-16(22)12-15(13-17(19)23)26-9-6-18(20)21;1-2-4-18-12-9(13)6-8(7-10(12)14)17-5-3-11(15)16;1-4(2)5-6-3/h10,16-17H,5-9,11-15H2,1-4H3;9,15-16H,5-8,10-14H2,1-4H3;8,14-15H,5-7,9-13H2,1-4H3;6,12-13H,3-5,7-11H2,1-2H3;3,6-7H,2,4-5H2,1H3;1-3H3
InChIKeyKUJSFVKYUPVVSX-UHFFFAOYSA-N
XLogP32.99
TPSA237.17 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds66
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002585.24
LogP ≤ 532.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine?
The IUPAC name of N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine (CID 91548140) is N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine.
What is the SMILES notation for N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine?
The canonical SMILES for N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine is CC(C)=NOCCOCCCCCOc1c(C)cc(OCC=C(Br)Br)cc1C.CC(C)=NOCCOCCCCCOc1c(Cl)cc(OCC=C(Br)Br)cc1Cl.CCCOc1c(Cl)cc(OCC=C(Cl)Cl)cc1Cl.CCc1cc(OCC=C(Br)Br)cc(CC)c1OCCCCCOCCON=C(C)C.CCc1cc(OCC=C(Br)Br)cc(CC)c1OCCCCOCCON=C(C)C.CON=C(C)C.
What is the InChIKey of N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine?
The InChIKey is KUJSFVKYUPVVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35Br2NO4.C22H33Br2NO4.C21H31Br2NO4.C19H25Br2Cl2NO4.C12H12Cl4O2.C4H9NO/c1-5-19-16-21(28-13-10-22(24)25)17-20(6-2)23(19)29-12-9-7-8-11-27-14-15-30-26-18(3)4;1-5-18-15-20(27-12-9-21(23)24)16-19(6-2)22(18)28-11-8-7-10-26-13-14-29-25-17(3)4;1-16(2)24-28-13-12-25-9-6-5-7-10-27-21-17(3)14-19(15-18(21)4)26-11-8-20(22)23;1-14(2)24-28-11-10-25-7-4-3-5-8-27-19-16(22)12-15(13-17(19)23)26-9-6-18(20)21;1-2-4-18-12-9(13)6-8(7-10(12)14)17-5-3-11(15)16;1-4(2)5-6-3/h10,16-17H,5-9,11-15H2,1-4H3;9,15-16H,5-8,10-14H2,1-4H3;8,14-15H,5-7,9-13H2,1-4H3;6,12-13H,3-5,7-11H2,1-2H3;3,6-7H,2,4-5H2,1H3;1-3H3.
What are the key properties of N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine?
N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine has a molecular weight of 2585.24 g/mol, XLogP of 32.99, 66 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]butoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-diethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[4-(3,3-dibromoprop-2-enoxy)-2,6-dimethylphenoxy]pentoxy]ethoxy]propan-2-imine;N-[2-[5-[2,6-dichloro-4-(3,3-dibromoprop-2-enoxy)phenoxy]pentoxy]ethoxy]propan-2-imine;1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-propoxybenzene;N-methoxypropan-2-imine is sourced from PubChem (CID 91548140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).