N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine

C22H33N3 — CID 154218779

IUPACN'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine
SMILESCc1cc(C)c(N(CCNCCN)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C22H33N3/c1-15-11-17(3)21(18(4)12-15)25(10-9-24-8-7-23)22-19(5)13-16(2)14-20(22)6/h11-14,24H,7-10,23H2,1-6H3
InChIKeyGTOKTRAYKQGUEH-UHFFFAOYSA-N
MW339.53 g/mol
LogP4.22
Rot. Bonds7

About N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine

N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine (PubChem CID 154218779) has the molecular formula C22H33N3 and a molecular weight of 339.53 g/mol. Its IUPAC name is N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine
PubChem CID154218779
Molecular FormulaC22H33N3
Molecular Weight339.53 g/mol
Exact Mass339.27
IUPAC NameN'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine
SMILESCc1cc(C)c(N(CCNCCN)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C22H33N3/c1-15-11-17(3)21(18(4)12-15)25(10-9-24-8-7-23)22-19(5)13-16(2)14-20(22)6/h11-14,24H,7-10,23H2,1-6H3
InChIKeyGTOKTRAYKQGUEH-UHFFFAOYSA-N
XLogP4.22
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.53
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 20780242
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195427
N'-[3-amino-3-(2,4,6-trimethylphenyl)propyl]-1-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 66808934
3-N,3-dimethyl-3-N-(2,4,6-trimethylphenyl)butane-1,3-diamine
CID 115134562
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;toluene
CID 70451906
N'-methyl-N'-[3-(2,4,6-trimethylanilino)propyl]-N-(2,4,6-trimethylphenyl)propane-1,3-diamine
CID 18441321
N'-methyl-N'-[(2,4,6-trimethylphenyl)methyl]propane-1,3-diamine
CID 62543775
4-(2,4,6-trimethylphenyl)butan-1-amine
CID 19966399
N'-(2-chloro-4,6-dimethylphenyl)-N'-ethylpropane-1,3-diamine
CID 28792366
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
manganese;N'-methyl-N'-[2-(2,4,6-trimethylanilino)ethyl]-N-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 66808827

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine (CID 154218779) is N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine is Cc1cc(C)c(N(CCNCCN)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine?
The InChIKey is GTOKTRAYKQGUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3/c1-15-11-17(3)21(18(4)12-15)25(10-9-24-8-7-23)22-19(5)13-16(2)14-20(22)6/h11-14,24H,7-10,23H2,1-6H3.
What are the key properties of N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine?
N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine has a molecular weight of 339.53 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4,6-trimethyl-N-(2,4,6-trimethylphenyl)anilino)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 154218779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).