(2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

C51H80N4O — CID 45270412

About (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide

(2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (PubChem CID 45270412) has the molecular formula C51H80N4O and a molecular weight of 765.23 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

Molecular Properties

• Compound Name: (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
• PubChem CID: 45270412
• Molecular Formula: C51H80N4O
• Molecular Weight: 765.23 g/mol
• Exact Mass: 764.63
• IUPAC Name: (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
• SMILES: C=C(/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)NCCCNCCCCNCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
• InChI: InChI=1S/C51H80N4O/c1-40(26-28-47-44(5)24-16-30-50(47,8)9)20-14-22-42(3)38-46(7)54-36-18-34-52-32-12-13-33-53-35-19-37-55-49(56)39-43(4)23-15-21-41(2)27-29-48-45(6)25-17-31-51(48,10)11/h14-15,20-23,26-29,38-39,52-54H,7,12-13,16-19,24-25,30-37H2,1-6,8-11H3,(H,55,56)/b22-14+,23-15+,28-26+,29-27+,40-20+,41-21+,42-38+,43-39+
• InChIKey: ZIWFFAQWMOGGIZ-XBQKJNNLSA-N
• XLogP: 12.01
• TPSA: 65.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 24
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.23
LogP ≤ 5	12.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The IUPAC name of (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide (CID 45270412) is (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide.

What is the SMILES notation for (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The canonical SMILES for (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is C=C(/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)NCCCNCCCCNCCCNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.

What is the InChIKey of (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

The InChIKey is ZIWFFAQWMOGGIZ-XBQKJNNLSA-N. The full InChI is InChI=1S/C51H80N4O/c1-40(26-28-47-44(5)24-16-30-50(47,8)9)20-14-22-42(3)38-46(7)54-36-18-34-52-32-12-13-33-53-35-19-37-55-49(56)39-43(4)23-15-21-41(2)27-29-48-45(6)25-17-31-51(48,10)11/h14-15,20-23,26-29,38-39,52-54H,7,12-13,16-19,24-25,30-37H2,1-6,8-11H3,(H,55,56)/b22-14+,23-15+,28-26+,29-27+,40-20+,41-21+,42-38+,43-39+.

What are the key properties of (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide?

(2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide has a molecular weight of 765.23 g/mol, XLogP of 12.01, 24 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4E,6E,8E)-N-[3-[4-[3-[[(3E,5E,7E,9E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaen-2-yl]amino]propylamino]butylamino]propyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide is sourced from PubChem (CID 45270412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).