N,N'-dipentyl-1,2-diphenylethane-1,2-diimine

C24H32N2 — CID 20609224

IUPACN,N'-dipentyl-1,2-diphenylethane-1,2-diimine
SMILESCCCCC/N=C(C(=N/CCCCC)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C24H32N2/c1-3-5-13-19-25-23(21-15-9-7-10-16-21)24(26-20-14-6-4-2)22-17-11-8-12-18-22/h7-12,15-18H,3-6,13-14,19-20H2,1-2H3/b25-23+,26-24+
InChIKeyOZAHPMYGQCNSDZ-OGGGYYITSA-N
MW348.53 g/mol
LogP6.35
Rot. Bonds11

About N,N'-dipentyl-1,2-diphenylethane-1,2-diimine

N,N'-dipentyl-1,2-diphenylethane-1,2-diimine (PubChem CID 20609224) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N,N'-dipentyl-1,2-diphenylethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-dipentyl-1,2-diphenylethane-1,2-diimine
PubChem CID20609224
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC NameN,N'-dipentyl-1,2-diphenylethane-1,2-diimine
SMILESCCCCC/N=C(C(=N/CCCCC)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C24H32N2/c1-3-5-13-19-25-23(21-15-9-7-10-16-21)24(26-20-14-6-4-2)22-17-11-8-12-18-22/h7-12,15-18H,3-6,13-14,19-20H2,1-2H3/b25-23+,26-24+
InChIKeyOZAHPMYGQCNSDZ-OGGGYYITSA-N
XLogP6.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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1,2-Ethanediamine, N1,N2-bis(phenylmethylene)-
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N-benzylidene-2-phenylethanamine
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1-Pyrroline, 3,3-diphenyl-2-ethyl-
CID 104403
1-Phenyl-3,4-dihydroisoquinoline
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2,3-Dihydro-5,6-Diphenylpyrazine
CID 256218
2,3-Diphenyl-1,4-diazaspiro[4.5]deca-1,3-diene
CID 407360
1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805

Frequently Asked Questions

What is the IUPAC name of N,N'-dipentyl-1,2-diphenylethane-1,2-diimine?
The IUPAC name of N,N'-dipentyl-1,2-diphenylethane-1,2-diimine (CID 20609224) is N,N'-dipentyl-1,2-diphenylethane-1,2-diimine.
What is the SMILES notation for N,N'-dipentyl-1,2-diphenylethane-1,2-diimine?
The canonical SMILES for N,N'-dipentyl-1,2-diphenylethane-1,2-diimine is CCCCC/N=C(C(=N/CCCCC)/c1ccccc1)\c1ccccc1.
What is the InChIKey of N,N'-dipentyl-1,2-diphenylethane-1,2-diimine?
The InChIKey is OZAHPMYGQCNSDZ-OGGGYYITSA-N. The full InChI is InChI=1S/C24H32N2/c1-3-5-13-19-25-23(21-15-9-7-10-16-21)24(26-20-14-6-4-2)22-17-11-8-12-18-22/h7-12,15-18H,3-6,13-14,19-20H2,1-2H3/b25-23+,26-24+.
What are the key properties of N,N'-dipentyl-1,2-diphenylethane-1,2-diimine?
N,N'-dipentyl-1,2-diphenylethane-1,2-diimine has a molecular weight of 348.53 g/mol, XLogP of 6.35, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipentyl-1,2-diphenylethane-1,2-diimine is sourced from PubChem (CID 20609224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).