(4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine

C25H47N — CID 177003289

About (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine

(4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine (PubChem CID 177003289) has the molecular formula C25H47N and a molecular weight of 361.66 g/mol. Its IUPAC name is (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine.

Molecular Properties

• Compound Name: (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine
• PubChem CID: 177003289
• Molecular Formula: C25H47N
• Molecular Weight: 361.66 g/mol
• Exact Mass: 361.37
• IUPAC Name: (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine
• SMILES: C/C=C\CC(CC(C/C(=C(/C=C(C)C)N(C)C)C(C)C)C(C)C)C(C)C
• InChI: InChI=1S/C25H47N/c1-12-13-14-22(19(4)5)16-23(20(6)7)17-24(21(8)9)25(26(10)11)15-18(2)3/h12-13,15,19-23H,14,16-17H2,1-11H3/b13-12-,25-24+
• InChIKey: FZBGPRFBBZQTBJ-HNQQYRDKSA-N
• XLogP: 7.72
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	361.66
LogP ≤ 5	7.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine?

The IUPAC name of (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine (CID 177003289) is (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine.

What is the SMILES notation for (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine?

The canonical SMILES for (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine is C/C=C\CC(CC(C/C(=C(/C=C(C)C)N(C)C)C(C)C)C(C)C)C(C)C.

What is the InChIKey of (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine?

The InChIKey is FZBGPRFBBZQTBJ-HNQQYRDKSA-N. The full InChI is InChI=1S/C25H47N/c1-12-13-14-22(19(4)5)16-23(20(6)7)17-24(21(8)9)25(26(10)11)15-18(2)3/h12-13,15,19-23H,14,16-17H2,1-11H3/b13-12-,25-24+.

What are the key properties of (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine?

(4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine has a molecular weight of 361.66 g/mol, XLogP of 7.72, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,11Z)-N,N,2-trimethyl-5,7,9-tri(propan-2-yl)trideca-2,4,11-trien-4-amine is sourced from PubChem (CID 177003289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).