N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine

C20H28N2 — CID 5461842

IUPACN,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCNc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H28N2/c1-13-9-15(3)19(16(4)10-13)21-7-8-22-20-17(5)11-14(2)12-18(20)6/h9-12,21-22H,7-8H2,1-6H3
InChIKeyRQXQQXIIAQTDHU-UHFFFAOYSA-N
MW296.46 g/mol
LogP5.06
Rot. Bonds5

About N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine

N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine (PubChem CID 5461842) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
PubChem CID5461842
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC NameN,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
SMILESCc1cc(C)c(NCCNc2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C20H28N2/c1-13-9-15(3)19(16(4)10-13)21-7-8-22-20-17(5)11-14(2)12-18(20)6/h9-12,21-22H,7-8H2,1-6H3
InChIKeyRQXQQXIIAQTDHU-UHFFFAOYSA-N
XLogP5.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.46
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Desipramine
CID 2995
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
Trimecaine
CID 12028
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
CID 77098
N,N'-Di-o-tolylethylenediamine
CID 66759
Denatonium
CID 15488
4,4'-Methylenebis(N-methylaniline)
CID 15735
Methanimidamide, N,N'-bis(2,4-dimethylphenyl)-
CID 578703
2-Mepp
CID 91965
4-Amino-4'-(N,N-dimethylamino)stilbene
CID 5376919
N-benzyl-4-methylaniline
CID 79403
4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
CID 16760588

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine (CID 5461842) is N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine is Cc1cc(C)c(NCCNc2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine?
The InChIKey is RQXQQXIIAQTDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2/c1-13-9-15(3)19(16(4)10-13)21-7-8-22-20-17(5)11-14(2)12-18(20)6/h9-12,21-22H,7-8H2,1-6H3.
What are the key properties of N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine?
N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine has a molecular weight of 296.46 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 5461842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).