1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine

C28H60N2O4 — CID 155215010

IUPAC1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(C)CCOCCOCCNC(C)(C)CN(CCCOCCOCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C28H60N2O4/c1-25(2,3)13-17-32-19-20-33-18-14-29-28(10,11)23-30(27(7,8)9)15-12-16-31-21-22-34-24-26(4,5)6/h29H,12-24H2,1-11H3
InChIKeyJULLZFHAERWIFY-UHFFFAOYSA-N
MW488.80 g/mol
LogP5.39
Rot. Bonds19

About 1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine

1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine (PubChem CID 155215010) has the molecular formula C28H60N2O4 and a molecular weight of 488.80 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine
PubChem CID155215010
Molecular FormulaC28H60N2O4
Molecular Weight488.80 g/mol
Exact Mass488.46
IUPAC Name1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine
SMILESCC(C)(C)CCOCCOCCNC(C)(C)CN(CCCOCCOCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C28H60N2O4/c1-25(2,3)13-17-32-19-20-33-18-14-29-28(10,11)23-30(27(7,8)9)15-12-16-31-21-22-34-24-26(4,5)6/h29H,12-24H2,1-11H3
InChIKeyJULLZFHAERWIFY-UHFFFAOYSA-N
XLogP5.39
TPSA52.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.80
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine (CID 155215010) is 1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine is CC(C)(C)CCOCCOCCNC(C)(C)CN(CCCOCCOCC(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine?
The InChIKey is JULLZFHAERWIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H60N2O4/c1-25(2,3)13-17-32-19-20-33-18-14-29-28(10,11)23-30(27(7,8)9)15-12-16-31-21-22-34-24-26(4,5)6/h29H,12-24H2,1-11H3.
What are the key properties of 1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine?
1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine has a molecular weight of 488.80 g/mol, XLogP of 5.39, 19 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]-1-N-[3-[2-(2,2-dimethylpropoxy)ethoxy]propyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 155215010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).