(6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine

C32H55N — CID 87373466

IUPAC(6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine
SMILESCCNCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C32H55N/c1-9-33-26-32(8)25-15-24-31(7)23-14-21-29(5)18-11-10-17-28(4)20-13-22-30(6)19-12-16-27(2)3/h16-18,22-23,25,33H,9-15,19-21,24,26H2,1-8H3/b28-17+,29-18+,30-22+,31-23+,32-25?
InChIKeyZPFWSSZNPUZEDI-YJJVGNBWSA-N
MW453.80 g/mol
LogP10.19
Rot. Bonds18

About (6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine

(6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine (PubChem CID 87373466) has the molecular formula C32H55N and a molecular weight of 453.80 g/mol. Its IUPAC name is (6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine.

Molecular Properties

Compound Name(6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine
PubChem CID87373466
Molecular FormulaC32H55N
Molecular Weight453.80 g/mol
Exact Mass453.43
IUPAC Name(6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine
SMILESCCNCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C32H55N/c1-9-33-26-32(8)25-15-24-31(7)23-14-21-29(5)18-11-10-17-28(4)20-13-22-30(6)19-12-16-27(2)3/h16-18,22-23,25,33H,9-15,19-21,24,26H2,1-8H3/b28-17+,29-18+,30-22+,31-23+,32-25?
InChIKeyZPFWSSZNPUZEDI-YJJVGNBWSA-N
XLogP10.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms33
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.80
LogP ≤ 510.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine?
The IUPAC name of (6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine (CID 87373466) is (6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine.
What is the SMILES notation for (6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine?
The canonical SMILES for (6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine is CCNCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine?
The InChIKey is ZPFWSSZNPUZEDI-YJJVGNBWSA-N. The full InChI is InChI=1S/C32H55N/c1-9-33-26-32(8)25-15-24-31(7)23-14-21-29(5)18-11-10-17-28(4)20-13-22-30(6)19-12-16-27(2)3/h16-18,22-23,25,33H,9-15,19-21,24,26H2,1-8H3/b28-17+,29-18+,30-22+,31-23+,32-25?.
What are the key properties of (6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine?
(6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine has a molecular weight of 453.80 g/mol, XLogP of 10.19, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,18E)-N-ethyl-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-amine is sourced from PubChem (CID 87373466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).