N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine

C26H40N2 — CID 5248041

IUPACN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine
SMILESCC(C)c1cccc(C(C)C)c1NCCNc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H40N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20,27-28H,15-16H2,1-8H3
InChIKeyRVMDHNMIJJBYQG-UHFFFAOYSA-N
MW380.62 g/mol
LogP7.70
Rot. Bonds9

About N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine

N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine (PubChem CID 5248041) has the molecular formula C26H40N2 and a molecular weight of 380.62 g/mol. Its IUPAC name is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine
PubChem CID5248041
Molecular FormulaC26H40N2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC NameN,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine
SMILESCC(C)c1cccc(C(C)C)c1NCCNc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C26H40N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20,27-28H,15-16H2,1-8H3
InChIKeyRVMDHNMIJJBYQG-UHFFFAOYSA-N
XLogP7.70
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 ≤ 57.70
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[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine (CID 5248041) is N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine is CC(C)c1cccc(C(C)C)c1NCCNc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine?
The InChIKey is RVMDHNMIJJBYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20,27-28H,15-16H2,1-8H3.
What are the key properties of N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine?
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine has a molecular weight of 380.62 g/mol, XLogP of 7.70, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 5248041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).