N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine

C26H40N2 — CID 170637355

IUPACN,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine
SMILESCCC(C)c1cc(C)cc(C)c1NCCNc1c(C)cc(C)cc1C(C)CC
InChIInChI=1S/C26H40N2/c1-9-19(5)23-15-17(3)13-21(7)25(23)27-11-12-28-26-22(8)14-18(4)16-24(26)20(6)10-2/h13-16,19-20,27-28H,9-12H2,1-8H3
InChIKeyALMSKHHYPRDPDF-UHFFFAOYSA-N
MW380.62 g/mol
LogP7.47
Rot. Bonds9

About N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine

N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine (PubChem CID 170637355) has the molecular formula C26H40N2 and a molecular weight of 380.62 g/mol. Its IUPAC name is N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine
PubChem CID170637355
Molecular FormulaC26H40N2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC NameN,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine
SMILESCCC(C)c1cc(C)cc(C)c1NCCNc1c(C)cc(C)cc1C(C)CC
InChIInChI=1S/C26H40N2/c1-9-19(5)23-15-17(3)13-21(7)25(23)27-11-12-28-26-22(8)14-18(4)16-24(26)20(6)10-2/h13-16,19-20,27-28H,9-12H2,1-8H3
InChIKeyALMSKHHYPRDPDF-UHFFFAOYSA-N
XLogP7.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 57.47
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine (CID 170637355) is N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine is CCC(C)c1cc(C)cc(C)c1NCCNc1c(C)cc(C)cc1C(C)CC.
What is the InChIKey of N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine?
The InChIKey is ALMSKHHYPRDPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2/c1-9-19(5)23-15-17(3)13-21(7)25(23)27-11-12-28-26-22(8)14-18(4)16-24(26)20(6)10-2/h13-16,19-20,27-28H,9-12H2,1-8H3.
What are the key properties of N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine?
N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine has a molecular weight of 380.62 g/mol, XLogP of 7.47, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2-butan-2-yl-4,6-dimethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 170637355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).