N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline

C28H35N3 — CID 59476621

IUPACN-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline
SMILESCCc1ccc(N(/N=C(\C)c2ccc(N(CC)CC)cc2)c2ccc(CC)cc2)cc1
InChIInChI=1S/C28H35N3/c1-6-23-10-16-27(17-11-23)31(28-18-12-24(7-2)13-19-28)29-22(5)25-14-20-26(21-15-25)30(8-3)9-4/h10-21H,6-9H2,1-5H3/b29-22+
InChIKeyLGNBLHNKMXCDHT-QUPMIFSKSA-N
MW413.61 g/mol
LogP7.22
Rot. Bonds9

About N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline

N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline (PubChem CID 59476621) has the molecular formula C28H35N3 and a molecular weight of 413.61 g/mol. Its IUPAC name is N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline.

Molecular Properties

Compound NameN-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline
PubChem CID59476621
Molecular FormulaC28H35N3
Molecular Weight413.61 g/mol
Exact Mass413.28
IUPAC NameN-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline
SMILESCCc1ccc(N(/N=C(\C)c2ccc(N(CC)CC)cc2)c2ccc(CC)cc2)cc1
InChIInChI=1S/C28H35N3/c1-6-23-10-16-27(17-11-23)31(28-18-12-24(7-2)13-19-28)29-22(5)25-14-20-26(21-15-25)30(8-3)9-4/h10-21H,6-9H2,1-5H3/b29-22+
InChIKeyLGNBLHNKMXCDHT-QUPMIFSKSA-N
XLogP7.22
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.61
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline?
The IUPAC name of N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline (CID 59476621) is N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline.
What is the SMILES notation for N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline?
The canonical SMILES for N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline is CCc1ccc(N(/N=C(\C)c2ccc(N(CC)CC)cc2)c2ccc(CC)cc2)cc1.
What is the InChIKey of N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline?
The InChIKey is LGNBLHNKMXCDHT-QUPMIFSKSA-N. The full InChI is InChI=1S/C28H35N3/c1-6-23-10-16-27(17-11-23)31(28-18-12-24(7-2)13-19-28)29-22(5)25-14-20-26(21-15-25)30(8-3)9-4/h10-21H,6-9H2,1-5H3/b29-22+.
What are the key properties of N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline?
N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline has a molecular weight of 413.61 g/mol, XLogP of 7.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-(diethylamino)phenyl]ethylideneamino]-4-ethyl-N-(4-ethylphenyl)aniline is sourced from PubChem (CID 59476621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).