1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine

C39H62N2 — CID 87910663

IUPAC1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine
SMILESCCCCCCCCCCCCCC(/C=N/c1cc(CCC)cc(CCC)c1)=N\c1cc(CCC)cc(CCC)c1
InChIInChI=1S/C39H62N2/c1-6-11-12-13-14-15-16-17-18-19-20-25-37(41-39-30-35(23-9-4)27-36(31-39)24-10-5)32-40-38-28-33(21-7-2)26-34(29-38)22-8-3/h26-32H,6-25H2,1-5H3/b40-32+,41-37+
InChIKeyYNYGRJIRRIYCRF-GOQQBCSFSA-N
MW558.94 g/mol
LogP12.67
Rot. Bonds23

About 1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine

1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine (PubChem CID 87910663) has the molecular formula C39H62N2 and a molecular weight of 558.94 g/mol. Its IUPAC name is 1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine
PubChem CID87910663
Molecular FormulaC39H62N2
Molecular Weight558.94 g/mol
Exact Mass558.49
IUPAC Name1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine
SMILESCCCCCCCCCCCCCC(/C=N/c1cc(CCC)cc(CCC)c1)=N\c1cc(CCC)cc(CCC)c1
InChIInChI=1S/C39H62N2/c1-6-11-12-13-14-15-16-17-18-19-20-25-37(41-39-30-35(23-9-4)27-36(31-39)24-10-5)32-40-38-28-33(21-7-2)26-34(29-38)22-8-3/h26-32H,6-25H2,1-5H3/b40-32+,41-37+
InChIKeyYNYGRJIRRIYCRF-GOQQBCSFSA-N
XLogP12.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.94
LogP ≤ 512.67
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'}

Analyze 1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine with MolForge

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

Launch Full Analysis

Related Compounds

1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine
CID 87875436
1-N-(3,5-dibutylphenyl)-2-N-(4-docos-1-enylphenyl)hexane-1,2-diimine;nickel
CID 173191313
1-N-(3,5-dipentylphenyl)-2-N-(4-dodec-1-enylphenyl)hexane-1,2-diimine;nickel
CID 173191328
1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine;nickel
CID 87875435
1-N,2-N-bis(4-octylphenyl)hexane-1,2-diimine
CID 87910681
1-N-(3,4-dipentylphenyl)-2-N-(3-hexadecylphenyl)octane-1,2-diimine
CID 87912504
1-N,2-N-bis(3,4-dibutylphenyl)heptane-1,2-diimine;nickel
CID 87875388
9-N,10-N-bis(3,5-dibutylphenyl)octadecane-9,10-diimine
CID 21033461
1-N-(3,4-dimethylphenyl)-2-N-(3,4-dipropylphenyl)octane-1,2-diimine;nickel
CID 87911667
1-N-(3,4-dipentylphenyl)-2-N-(3,4-dipropylphenyl)hexane-1,2-diimine
CID 87875183
6-N,7-N-bis(3,5-dipentylphenyl)tridecane-6,7-diimine;nickel
CID 87876162
9-N,10-N-bis(3,5-dipentylphenyl)octadecane-9,10-diimine;nickel
CID 87912252

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine?
The IUPAC name of 1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine (CID 87910663) is 1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine.
What is the SMILES notation for 1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine?
The canonical SMILES for 1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine is CCCCCCCCCCCCCC(/C=N/c1cc(CCC)cc(CCC)c1)=N\c1cc(CCC)cc(CCC)c1.
What is the InChIKey of 1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine?
The InChIKey is YNYGRJIRRIYCRF-GOQQBCSFSA-N. The full InChI is InChI=1S/C39H62N2/c1-6-11-12-13-14-15-16-17-18-19-20-25-37(41-39-30-35(23-9-4)27-36(31-39)24-10-5)32-40-38-28-33(21-7-2)26-34(29-38)22-8-3/h26-32H,6-25H2,1-5H3/b40-32+,41-37+.
What are the key properties of 1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine?
1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine has a molecular weight of 558.94 g/mol, XLogP of 12.67, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(3,5-dipropylphenyl)pentadecane-1,2-diimine is sourced from PubChem (CID 87910663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).