(2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide

C27H46N2O — CID 21297915

IUPAC(2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN
InChIInChI=1S/C27H46N2O/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)21-27(30)29-20-19-28/h11,13,15,17,21H,7-10,12,14,16,18-20,28H2,1-6H3,(H,29,30)/b23-13+,24-15+,25-17+,26-21+
InChIKeyOPVLJPXPMYNIES-ZBPGHHTISA-N
MW414.68 g/mol
LogP6.93
Rot. Bonds15

About (2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide

(2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide (PubChem CID 21297915) has the molecular formula C27H46N2O and a molecular weight of 414.68 g/mol. Its IUPAC name is (2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide.

Molecular Properties

Compound Name(2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
PubChem CID21297915
Molecular FormulaC27H46N2O
Molecular Weight414.68 g/mol
Exact Mass414.36
IUPAC Name(2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN
InChIInChI=1S/C27H46N2O/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)21-27(30)29-20-19-28/h11,13,15,17,21H,7-10,12,14,16,18-20,28H2,1-6H3,(H,29,30)/b23-13+,24-15+,25-17+,26-21+
InChIKeyOPVLJPXPMYNIES-ZBPGHHTISA-N
XLogP6.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?
The IUPAC name of (2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide (CID 21297915) is (2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide.
What is the SMILES notation for (2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?
The canonical SMILES for (2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C(=O)NCCN.
What is the InChIKey of (2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?
The InChIKey is OPVLJPXPMYNIES-ZBPGHHTISA-N. The full InChI is InChI=1S/C27H46N2O/c1-22(2)11-7-12-23(3)13-8-14-24(4)15-9-16-25(5)17-10-18-26(6)21-27(30)29-20-19-28/h11,13,15,17,21H,7-10,12,14,16,18-20,28H2,1-6H3,(H,29,30)/b23-13+,24-15+,25-17+,26-21+.
What are the key properties of (2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide?
(2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide has a molecular weight of 414.68 g/mol, XLogP of 6.93, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E,14E)-N-(2-aminoethyl)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide is sourced from PubChem (CID 21297915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).