methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine

C38H53N4O+ — CID 171843339

About methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine

methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine (PubChem CID 171843339) has the molecular formula C38H53N4O+ and a molecular weight of 581.87 g/mol. Its IUPAC name is methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine.

Molecular Properties

• Compound Name: methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine
• PubChem CID: 171843339
• Molecular Formula: C38H53N4O+
• Molecular Weight: 581.87 g/mol
• Exact Mass: 581.42
• IUPAC Name: methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine
• SMILES: CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C2NCCCCN)C(C)(C)c2ccccc21.COC
• InChI: InChI=1S/C36H46N4.C2H6O/c1-35(2)28-16-7-9-18-30(28)39(5)32(35)22-20-26-14-13-15-27(34(26)38-25-12-11-24-37)21-23-33-36(3,4)29-17-8-10-19-31(29)40(33)6;1-3-2/h7-10,16-23H,11-15,24-25,37H2,1-6H3;1-2H3/p+1/b26-20+,32-22+
• InChIKey: ZIUZSVZSLDDEDO-FAKWAEIUSA-O
• XLogP: 7.52
• TPSA: 53.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.87
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine?

The IUPAC name of methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine (CID 171843339) is methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine.

What is the SMILES notation for methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine?

The canonical SMILES for methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine is CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C2NCCCCN)C(C)(C)c2ccccc21.COC.

What is the InChIKey of methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine?

The InChIKey is ZIUZSVZSLDDEDO-FAKWAEIUSA-O. The full InChI is InChI=1S/C36H46N4.C2H6O/c1-35(2)28-16-7-9-18-30(28)39(5)32(35)22-20-26-14-13-15-27(34(26)38-25-12-11-24-37)21-23-33-36(3,4)29-17-8-10-19-31(29)40(33)6;1-3-2/h7-10,16-23H,11-15,24-25,37H2,1-6H3;1-2H3/p+1/b26-20+,32-22+;.

What are the key properties of methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine?

methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine has a molecular weight of 581.87 g/mol, XLogP of 7.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methoxymethane;N'-[(6E)-2-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]-6-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]cyclohexen-1-yl]butane-1,4-diamine is sourced from PubChem (CID 171843339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).