5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride

C24H30ClNO2 — CID 70560139

About 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride

5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride (PubChem CID 70560139) has the molecular formula C24H30ClNO2 and a molecular weight of 399.96 g/mol. Its IUPAC name is 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride.

Molecular Properties

• Compound Name: 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride
• PubChem CID: 70560139
• Molecular Formula: C24H30ClNO2
• Molecular Weight: 399.96 g/mol
• Exact Mass: 399.20
• IUPAC Name: 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride
• SMILES: CN(C)C(CC=C1c2ccccc2CCc2ccccc21)CCCC(=O)O.Cl
• InChI: InChI=1S/C24H29NO2.ClH/c1-25(2)20(10-7-13-24(26)27)16-17-23-21-11-5-3-8-18(21)14-15-19-9-4-6-12-22(19)23;/h3-6,8-9,11-12,17,20H,7,10,13-16H2,1-2H3,(H,26,27);1H
• InChIKey: NOYMKCSWAMDPAA-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.96
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride?

The IUPAC name of 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride (CID 70560139) is 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride.

What is the SMILES notation for 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride?

The canonical SMILES for 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride is CN(C)C(CC=C1c2ccccc2CCc2ccccc21)CCCC(=O)O.Cl.

What is the InChIKey of 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride?

The InChIKey is NOYMKCSWAMDPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2.ClH/c1-25(2)20(10-7-13-24(26)27)16-17-23-21-11-5-3-8-18(21)14-15-19-9-4-6-12-22(19)23;/h3-6,8-9,11-12,17,20H,7,10,13-16H2,1-2H3,(H,26,27);1H.

What are the key properties of 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride?

5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride has a molecular weight of 399.96 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(dimethylamino)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)heptanoic acid;hydrochloride is sourced from PubChem (CID 70560139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).