2-(benzylideneamino)-N-tritylethanamine

C28H26N2 — CID 101473643

IUPAC2-(benzylideneamino)-N-tritylethanamine
SMILESC(=N/CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C28H26N2/c1-5-13-24(14-6-1)23-29-21-22-30-28(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,23,30H,21-22H2/b29-23+
InChIKeyYBNMMIFEZUBETB-BYNJWEBRSA-N
MW390.53 g/mol
LogP5.69
Rot. Bonds8

About 2-(benzylideneamino)-N-tritylethanamine

2-(benzylideneamino)-N-tritylethanamine (PubChem CID 101473643) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-(benzylideneamino)-N-tritylethanamine.

Molecular Properties

Compound Name2-(benzylideneamino)-N-tritylethanamine
PubChem CID101473643
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name2-(benzylideneamino)-N-tritylethanamine
SMILESC(=N/CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C28H26N2/c1-5-13-24(14-6-1)23-29-21-22-30-28(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,23,30H,21-22H2/b29-23+
InChIKeyYBNMMIFEZUBETB-BYNJWEBRSA-N
XLogP5.69
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.69
H-Bond Donors ≤ 51
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N-[2-(tritylamino)ethyl]formamide
CID 11002043
N'-trityl-N-[4-[7-(tritylamino)heptylamino]butyl]heptane-1,7-diamine
CID 101358103
2-(benzylideneamino)ethyl-trimethylazanium
CID 13048432
3-bromo-N-tritylbutan-1-amine
CID 57015899
N-benzyl-N'-tritylbutane-1,4-diamine
CID 11037211
1-phenyl-N-(2-propan-2-yloxyethyl)methanimine
CID 145468461
acetic acid;N'-tritylethane-1,2-diamine
CID 43835039
2-(benzylideneamino)acetaldehyde
CID 19818582
4-[2-[2-(benzylideneamino)ethylamino]ethoxy]phenol
CID 139903884
N-(2-naphthalen-1-ylethyl)-1-phenylmethanimine
CID 154126259
N-[3-(tritylamino)propyl]prop-2-enamide
CID 139888249
1,1,1-triphenyl-N-[(tritylamino)methoxymethoxymethyl]methanamine
CID 58761168

Frequently Asked Questions

What is the IUPAC name of 2-(benzylideneamino)-N-tritylethanamine?
The IUPAC name of 2-(benzylideneamino)-N-tritylethanamine (CID 101473643) is 2-(benzylideneamino)-N-tritylethanamine.
What is the SMILES notation for 2-(benzylideneamino)-N-tritylethanamine?
The canonical SMILES for 2-(benzylideneamino)-N-tritylethanamine is C(=N/CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of 2-(benzylideneamino)-N-tritylethanamine?
The InChIKey is YBNMMIFEZUBETB-BYNJWEBRSA-N. The full InChI is InChI=1S/C28H26N2/c1-5-13-24(14-6-1)23-29-21-22-30-28(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,23,30H,21-22H2/b29-23+.
What are the key properties of 2-(benzylideneamino)-N-tritylethanamine?
2-(benzylideneamino)-N-tritylethanamine has a molecular weight of 390.53 g/mol, XLogP of 5.69, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylideneamino)-N-tritylethanamine is sourced from PubChem (CID 101473643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).