N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine

C24H28N6 — CID 136500142

About N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine

N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine (PubChem CID 136500142) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine.

Molecular Properties

• Compound Name: N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine
• PubChem CID: 136500142
• Molecular Formula: C24H28N6
• Molecular Weight: 400.53 g/mol
• Exact Mass: 400.24
• IUPAC Name: N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine
• SMILES: C=C(N/N=N\N)c1ccc2c(C3CCCCC3)c3n(c2c1)CCCc1ncccc1-3
• InChI: InChI=1S/C24H28N6/c1-16(27-29-28-25)18-11-12-20-22(15-18)30-14-6-10-21-19(9-5-13-26-21)24(30)23(20)17-7-3-2-4-8-17/h5,9,11-13,15,17H,1-4,6-8,10,14H2,(H2,25,29)(H,27,28)
• InChIKey: FBGJQVMLDNMLAY-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 80.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.53
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine?

The IUPAC name of N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine (CID 136500142) is N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine.

What is the SMILES notation for N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine?

The canonical SMILES for N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine is C=C(N/N=N\N)c1ccc2c(C3CCCCC3)c3n(c2c1)CCCc1ncccc1-3.

What is the InChIKey of N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine?

The InChIKey is FBGJQVMLDNMLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-16(27-29-28-25)18-11-12-20-22(15-18)30-14-6-10-21-19(9-5-13-26-21)24(30)23(20)17-7-3-2-4-8-17/h5,9,11-13,15,17H,1-4,6-8,10,14H2,(H2,25,29)(H,27,28).

What are the key properties of N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine?

N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine has a molecular weight of 400.53 g/mol, XLogP of 5.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-aminodiazenyl]-1-(18-cyclohexyl-6,11-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(18),2(7),3,5,12(17),13,15-heptaen-14-yl)ethenamine is sourced from PubChem (CID 136500142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).