N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine

C26H39N2+ — CID 59189228

About N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine

N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine (PubChem CID 59189228) has the molecular formula C26H39N2+ and a molecular weight of 379.61 g/mol. Its IUPAC name is N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine.

Molecular Properties

• Compound Name: N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine
• PubChem CID: 59189228
• Molecular Formula: C26H39N2+
• Molecular Weight: 379.61 g/mol
• Exact Mass: 379.31
• IUPAC Name: N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine
• SMILES: CC(=C(C)C1=[N+](C)CCC1)C1=C(C)C(=C(C)C2=C(C)C(C)=C(N(C)C)C2)CC1
• InChI: InChI=1S/C26H39N2/c1-16(18(3)25-11-10-14-28(25)9)22-12-13-23(20(22)5)21(6)24-15-26(27(7)8)19(4)17(24)2/h10-15H2,1-9H3/q+1
• InChIKey: HWGOELSJWRTMKE-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 6.25 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.61
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine?

The IUPAC name of N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine (CID 59189228) is N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine.

What is the SMILES notation for N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine?

The canonical SMILES for N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine is CC(=C(C)C1=[N+](C)CCC1)C1=C(C)C(=C(C)C2=C(C)C(C)=C(N(C)C)C2)CC1.

What is the InChIKey of N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine?

The InChIKey is HWGOELSJWRTMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N2/c1-16(18(3)25-11-10-14-28(25)9)22-12-13-23(20(22)5)21(6)24-15-26(27(7)8)19(4)17(24)2/h10-15H2,1-9H3/q+1.

What are the key properties of N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine?

N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine has a molecular weight of 379.61 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 59189228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).