dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium

C25H42N3+ — CID 59887619

About dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium

dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium (PubChem CID 59887619) has the molecular formula C25H42N3+ and a molecular weight of 384.63 g/mol. Its IUPAC name is dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium.

Molecular Properties

• Compound Name: dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium
• PubChem CID: 59887619
• Molecular Formula: C25H42N3+
• Molecular Weight: 384.63 g/mol
• Exact Mass: 384.34
• IUPAC Name: dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium
• SMILES: CC(=C(C)C(C(C)=C(C)C(C)=C1CCCN1C)=[N+](C)C)C(C)=C1CCCN1C
• InChI: InChI=1S/C25H42N3/c1-17(19(3)23-13-11-15-27(23)9)21(5)25(26(7)8)22(6)18(2)20(4)24-14-12-16-28(24)10/h11-16H2,1-10H3/q+1
• InChIKey: HHWPYTXJVBRQBU-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 9.49 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.63
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium?

The IUPAC name of dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium (CID 59887619) is dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium.

What is the SMILES notation for dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium?

The canonical SMILES for dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium is CC(=C(C)C(C(C)=C(C)C(C)=C1CCCN1C)=[N+](C)C)C(C)=C1CCCN1C.

What is the InChIKey of dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium?

The InChIKey is HHWPYTXJVBRQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N3/c1-17(19(3)23-13-11-15-27(23)9)21(5)25(26(7)8)22(6)18(2)20(4)24-14-12-16-28(24)10/h11-16H2,1-10H3/q+1.

What are the key properties of dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium?

dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium has a molecular weight of 384.63 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[3,4,6,7-tetramethyl-2,8-bis(1-methylpyrrolidin-2-ylidene)nona-3,6-dien-5-ylidene]azanium is sourced from PubChem (CID 59887619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).