N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine

C33H56N4 — CID 13408496

IUPACN-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine
SMILESCCCCC(CC)CN=c1ccn(CCCCCCCn2ccc(=NCC(CC)CCCC)cc2)cc1
InChIInChI=1S/C33H56N4/c1-5-9-16-30(7-3)28-34-32-18-24-36(25-19-32)22-14-12-11-13-15-23-37-26-20-33(21-27-37)35-29-31(8-4)17-10-6-2/h18-21,24-27,30-31H,5-17,22-23,28-29H2,1-4H3
InChIKeyGSZHDSXJDBUCGK-UHFFFAOYSA-N
MW508.84 g/mol
LogP8.17
Rot. Bonds20

About N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine

N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine (PubChem CID 13408496) has the molecular formula C33H56N4 and a molecular weight of 508.84 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine
PubChem CID13408496
Molecular FormulaC33H56N4
Molecular Weight508.84 g/mol
Exact Mass508.45
IUPAC NameN-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine
SMILESCCCCC(CC)CN=c1ccn(CCCCCCCn2ccc(=NCC(CC)CCCC)cc2)cc1
InChIInChI=1S/C33H56N4/c1-5-9-16-30(7-3)28-34-32-18-24-36(25-19-32)22-14-12-11-13-15-23-37-26-20-33(21-27-37)35-29-31(8-4)17-10-6-2/h18-21,24-27,30-31H,5-17,22-23,28-29H2,1-4H3
InChIKeyGSZHDSXJDBUCGK-UHFFFAOYSA-N
XLogP8.17
TPSA34.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.84
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-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 N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine?
The IUPAC name of N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine (CID 13408496) is N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine.
What is the SMILES notation for N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine?
The canonical SMILES for N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine is CCCCC(CC)CN=c1ccn(CCCCCCCn2ccc(=NCC(CC)CCCC)cc2)cc1.
What is the InChIKey of N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine?
The InChIKey is GSZHDSXJDBUCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H56N4/c1-5-9-16-30(7-3)28-34-32-18-24-36(25-19-32)22-14-12-11-13-15-23-37-26-20-33(21-27-37)35-29-31(8-4)17-10-6-2/h18-21,24-27,30-31H,5-17,22-23,28-29H2,1-4H3.
What are the key properties of N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine?
N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine has a molecular weight of 508.84 g/mol, XLogP of 8.17, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1-[7-[4-(2-ethylhexylimino)-1-pyridinyl]heptyl]pyridin-4-imine is sourced from PubChem (CID 13408496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).