(4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine

C33H57N — CID 145283944

IUPAC(4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine
SMILESCNCCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C33H57N/c1-28(2)16-11-19-31(5)22-12-20-29(3)17-9-10-18-30(4)21-13-23-32(6)24-14-25-33(7)26-15-27-34-8/h16-18,22-23,25,34H,9-15,19-21,24,26-27H2,1-8H3/b29-17+,30-18+,31-22+,32-23+,33-25+
InChIKeyRZSWSSGVAHRDLG-LZRZEKPOSA-N
MW467.83 g/mol
LogP10.58
Rot. Bonds19

About (4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine

(4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine (PubChem CID 145283944) has the molecular formula C33H57N and a molecular weight of 467.83 g/mol. Its IUPAC name is (4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine.

Molecular Properties

Compound Name(4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine
PubChem CID145283944
Molecular FormulaC33H57N
Molecular Weight467.83 g/mol
Exact Mass467.45
IUPAC Name(4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine
SMILESCNCCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C33H57N/c1-28(2)16-11-19-31(5)22-12-20-29(3)17-9-10-18-30(4)21-13-23-32(6)24-14-25-33(7)26-15-27-34-8/h16-18,22-23,25,34H,9-15,19-21,24,26-27H2,1-8H3/b29-17+,30-18+,31-22+,32-23+,33-25+
InChIKeyRZSWSSGVAHRDLG-LZRZEKPOSA-N
XLogP10.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.83
LogP ≤ 510.58
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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Related Compounds

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CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethyl-N-[2-(methylamino)ethyl]hexacosa-4,8,12,16,20,24-hexaenamide
CID 170133551
26-bromo-2,6,10,15,19,23-hexamethylhexacosa-2,6,10,14,18,22-hexaene
CID 162298741
2-bromo-N-[(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaenyl]acetamide
CID 53468174
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
N,5-dimethylhex-4-en-1-amine;ethane
CID 145111229
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-ol
CID 88547692

Frequently Asked Questions

What is the IUPAC name of (4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine?
The IUPAC name of (4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine (CID 145283944) is (4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine.
What is the SMILES notation for (4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine?
The canonical SMILES for (4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine is CNCCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine?
The InChIKey is RZSWSSGVAHRDLG-LZRZEKPOSA-N. The full InChI is InChI=1S/C33H57N/c1-28(2)16-11-19-31(5)22-12-20-29(3)17-9-10-18-30(4)21-13-23-32(6)24-14-25-33(7)26-15-27-34-8/h16-18,22-23,25,34H,9-15,19-21,24,26-27H2,1-8H3/b29-17+,30-18+,31-22+,32-23+,33-25+.
What are the key properties of (4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine?
(4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine has a molecular weight of 467.83 g/mol, XLogP of 10.58, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,8E,12E,16E,20E)-N,4,8,12,17,21,25-heptamethylhexacosa-4,8,12,16,20,24-hexaen-1-amine is sourced from PubChem (CID 145283944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).