cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium

C26H33N2O2+ — CID 25270878

About cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium

cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium (PubChem CID 25270878) has the molecular formula C26H33N2O2+ and a molecular weight of 405.56 g/mol. Its IUPAC name is cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium.

Molecular Properties

• Compound Name: cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium
• PubChem CID: 25270878
• Molecular Formula: C26H33N2O2+
• Molecular Weight: 405.56 g/mol
• Exact Mass: 405.25
• IUPAC Name: cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium
• SMILES: Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(C[N+](C)(C)C3CCCCC3)cc1)CO2
• InChI: InChI=1S/C26H32N2O2/c1-19-9-14-25-21(15-19)16-22(18-30-25)26(29)27-23-12-10-20(11-13-23)17-28(2,3)24-7-5-4-6-8-24/h9-16,24H,4-8,17-18H2,1-3H3/p+1
• InChIKey: GOCVFOVPFRRWCF-UHFFFAOYSA-O
• XLogP: 5.32
• TPSA: 38.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.56
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium?

The IUPAC name of cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium (CID 25270878) is cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium.

What is the SMILES notation for cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium?

The canonical SMILES for cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium is Cc1ccc2c(c1)C=C(C(=O)Nc1ccc(C[N+](C)(C)C3CCCCC3)cc1)CO2.

What is the InChIKey of cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium?

The InChIKey is GOCVFOVPFRRWCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H32N2O2/c1-19-9-14-25-21(15-19)16-22(18-30-25)26(29)27-23-12-10-20(11-13-23)17-28(2,3)24-7-5-4-6-8-24/h9-16,24H,4-8,17-18H2,1-3H3/p+1.

What are the key properties of cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium?

cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium has a molecular weight of 405.56 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-dimethyl-[[4-[(6-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl]azanium is sourced from PubChem (CID 25270878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).