4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine

C25H26N2 — CID 144868863

About 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine

4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine (PubChem CID 144868863) has the molecular formula C25H26N2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine.

Molecular Properties

• Compound Name: 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine
• PubChem CID: 144868863
• Molecular Formula: C25H26N2
• Molecular Weight: 354.50 g/mol
• Exact Mass: 354.21
• IUPAC Name: 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine
• SMILES: C=C(/C=C\C=C/C)N(C)c1cc2c3c(ccc4cccc(c43)n2C)c1CC
• InChI: InChI=1S/C25H26N2/c1-6-8-9-11-17(3)26(4)22-16-23-25-20(19(22)7-2)15-14-18-12-10-13-21(24(18)25)27(23)5/h6,8-16H,3,7H2,1-2,4-5H3/b8-6-,11-9-
• InChIKey: YEPLSAPMHGVHQL-BBDSXROGSA-N
• XLogP: 6.57
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	354.50
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine?

The IUPAC name of 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine (CID 144868863) is 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine.

What is the SMILES notation for 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine?

The canonical SMILES for 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine is C=C(/C=C\C=C/C)N(C)c1cc2c3c(ccc4cccc(c43)n2C)c1CC.

What is the InChIKey of 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine?

The InChIKey is YEPLSAPMHGVHQL-BBDSXROGSA-N. The full InChI is InChI=1S/C25H26N2/c1-6-8-9-11-17(3)26(4)22-16-23-25-20(19(22)7-2)15-14-18-12-10-13-21(24(18)25)27(23)5/h6,8-16H,3,7H2,1-2,4-5H3/b8-6-,11-9-.

What are the key properties of 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine?

4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine has a molecular weight of 354.50 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-N,15-dimethyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-3-amine is sourced from PubChem (CID 144868863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).