methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine

C25H43N2+ — CID 159972928

About methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine

methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine (PubChem CID 159972928) has the molecular formula C25H43N2+ and a molecular weight of 371.63 g/mol. Its IUPAC name is methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine.

Molecular Properties

• Compound Name: methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine
• PubChem CID: 159972928
• Molecular Formula: C25H43N2+
• Molecular Weight: 371.63 g/mol
• Exact Mass: 371.34
• IUPAC Name: methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine
• SMILES: C.C/C(C1=[N+](C)CCC1)=C(C)/C(C)=C(C)/C(C)=C(C)/C(C)=C1/CCCN1C
• InChI: InChI=1S/C24H39N2.CH4/c1-16(17(2)19(4)21(6)23-12-10-14-25(23)8)18(3)20(5)22(7)24-13-11-15-26(24)9;/h10-15H2,1-9H3;1H4/q+1
• InChIKey: OEUBTSACYPXJGF-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 6.25 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	371.63
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine?

The IUPAC name of methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine (CID 159972928) is methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine.

What is the SMILES notation for methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine?

The canonical SMILES for methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine is C.C/C(C1=[N+](C)CCC1)=C(C)/C(C)=C(C)/C(C)=C(C)/C(C)=C1/CCCN1C.

What is the InChIKey of methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine?

The InChIKey is OEUBTSACYPXJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N2.CH4/c1-16(17(2)19(4)21(6)23-12-10-14-25(23)8)18(3)20(5)22(7)24-13-11-15-26(24)9;/h10-15H2,1-9H3;1H4/q+1;.

What are the key properties of methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine?

methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine has a molecular weight of 371.63 g/mol, XLogP of 6.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(2Z)-1-methyl-2-[(3E,5E,7Z)-3,4,5,6,7-pentamethyl-8-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)nona-3,5,7-trien-2-ylidene]pyrrolidine is sourced from PubChem (CID 159972928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).