(3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine

C26H43N — CID 166657403

IUPAC(3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine
SMILESC=C/C(=C\C(CCCCCCCC/C=C/C=C/CCCCC)=N\C)C(=C)C
InChIInChI=1S/C26H43N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(27-5)23-25(7-2)24(3)4/h7,11-14,23H,2-3,6,8-10,15-22H2,1,4-5H3/b12-11+,14-13+,25-23+,27-26+
InChIKeyITSHUKNAKYOFPI-BHPAOWIWSA-N
MW369.64 g/mol
LogP8.56
Rot. Bonds17

About (3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine

(3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine (PubChem CID 166657403) has the molecular formula C26H43N and a molecular weight of 369.64 g/mol. Its IUPAC name is (3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine.

Molecular Properties

Compound Name(3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine
PubChem CID166657403
Molecular FormulaC26H43N
Molecular Weight369.64 g/mol
Exact Mass369.34
IUPAC Name(3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine
SMILESC=C/C(=C\C(CCCCCCCC/C=C/C=C/CCCCC)=N\C)C(=C)C
InChIInChI=1S/C26H43N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(27-5)23-25(7-2)24(3)4/h7,11-14,23H,2-3,6,8-10,15-22H2,1,4-5H3/b12-11+,14-13+,25-23+,27-26+
InChIKeyITSHUKNAKYOFPI-BHPAOWIWSA-N
XLogP8.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.64
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine?
The IUPAC name of (3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine (CID 166657403) is (3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine.
What is the SMILES notation for (3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine?
The canonical SMILES for (3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine is C=C/C(=C\C(CCCCCCCC/C=C/C=C/CCCCC)=N\C)C(=C)C.
What is the InChIKey of (3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine?
The InChIKey is ITSHUKNAKYOFPI-BHPAOWIWSA-N. The full InChI is InChI=1S/C26H43N/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26(27-5)23-25(7-2)24(3)4/h7,11-14,23H,2-3,6,8-10,15-22H2,1,4-5H3/b12-11+,14-13+,25-23+,27-26+.
What are the key properties of (3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine?
(3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine has a molecular weight of 369.64 g/mol, XLogP of 8.56, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,14E,16E)-3-ethenyl-N,2-dimethyldocosa-1,3,14,16-tetraen-5-imine is sourced from PubChem (CID 166657403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).