7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene

C29H43N — CID 141469910

IUPAC7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene
SMILESCCCCCCCCCCCCCCCCC1c2ccc(cc2)Nc2ccc1cc2
InChIInChI=1S/C29H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-25-17-21-27(22-18-25)30-28-23-19-26(29)20-24-28/h17-24,29-30H,2-16H2,1H3
InChIKeyJXYJTAHXTUPAPB-UHFFFAOYSA-N
MW405.67 g/mol
LogP9.75
Rot. Bonds15

About 7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene

7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene (PubChem CID 141469910) has the molecular formula C29H43N and a molecular weight of 405.67 g/mol. Its IUPAC name is 7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene.

Molecular Properties

Compound Name7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene
PubChem CID141469910
Molecular FormulaC29H43N
Molecular Weight405.67 g/mol
Exact Mass405.34
IUPAC Name7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene
SMILESCCCCCCCCCCCCCCCCC1c2ccc(cc2)Nc2ccc1cc2
InChIInChI=1S/C29H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-25-17-21-27(22-18-25)30-28-23-19-26(29)20-24-28/h17-24,29-30H,2-16H2,1H3
InChIKeyJXYJTAHXTUPAPB-UHFFFAOYSA-N
XLogP9.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.67
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-nonyl-9H-fluorene
CID 22568532
1-(4-butylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538404
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
3-hexyl-1,3-dihydroindol-2-one
CID 106986515
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-ethylcyclohexyl)-4-(4-octylcyclohexyl)benzene
CID 20538252
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-(trifluoromethyl)benzene
CID 57132254
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
7-hexacosyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene
CID 175711728

Frequently Asked Questions

What is the IUPAC name of 7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene?
The IUPAC name of 7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene (CID 141469910) is 7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene.
What is the SMILES notation for 7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene?
The canonical SMILES for 7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene is CCCCCCCCCCCCCCCCC1c2ccc(cc2)Nc2ccc1cc2.
What is the InChIKey of 7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene?
The InChIKey is JXYJTAHXTUPAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-25-17-21-27(22-18-25)30-28-23-19-26(29)20-24-28/h17-24,29-30H,2-16H2,1H3.
What are the key properties of 7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene?
7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene has a molecular weight of 405.67 g/mol, XLogP of 9.75, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene is sourced from PubChem (CID 141469910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).