6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine

C27H50N2 — CID 54204866

IUPAC6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine
SMILESC=CCC(CC)CC/C(CC)=N/CCCCC/N=C(\CC)CCC(CC)CC=C
InChIInChI=1S/C27H50N2/c1-7-16-24(9-3)18-20-26(11-5)28-22-14-13-15-23-29-27(12-6)21-19-25(10-4)17-8-2/h7-8,24-25H,1-2,9-23H2,3-6H3/b28-26+,29-27+
InChIKeyPRUPBXUJKJJBLK-TUUFZWAFSA-N
MW402.71 g/mol
LogP8.62
Rot. Bonds20

About 6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine

6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine (PubChem CID 54204866) has the molecular formula C27H50N2 and a molecular weight of 402.71 g/mol. Its IUPAC name is 6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine.

Molecular Properties

Compound Name6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine
PubChem CID54204866
Molecular FormulaC27H50N2
Molecular Weight402.71 g/mol
Exact Mass402.40
IUPAC Name6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine
SMILESC=CCC(CC)CC/C(CC)=N/CCCCC/N=C(\CC)CCC(CC)CC=C
InChIInChI=1S/C27H50N2/c1-7-16-24(9-3)18-20-26(11-5)28-22-14-13-15-23-29-27(12-6)21-19-25(10-4)17-8-2/h7-8,24-25H,1-2,9-23H2,3-6H3/b28-26+,29-27+
InChIKeyPRUPBXUJKJJBLK-TUUFZWAFSA-N
XLogP8.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.71
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine?
The IUPAC name of 6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine (CID 54204866) is 6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine.
What is the SMILES notation for 6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine?
The canonical SMILES for 6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine is C=CCC(CC)CC/C(CC)=N/CCCCC/N=C(\CC)CCC(CC)CC=C.
What is the InChIKey of 6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine?
The InChIKey is PRUPBXUJKJJBLK-TUUFZWAFSA-N. The full InChI is InChI=1S/C27H50N2/c1-7-16-24(9-3)18-20-26(11-5)28-22-14-13-15-23-29-27(12-6)21-19-25(10-4)17-8-2/h7-8,24-25H,1-2,9-23H2,3-6H3/b28-26+,29-27+.
What are the key properties of 6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine?
6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine has a molecular weight of 402.71 g/mol, XLogP of 8.62, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[5-(6-ethylnon-8-en-3-ylideneamino)pentyl]non-8-en-3-imine is sourced from PubChem (CID 54204866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).