3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine

C26H55NO2 — CID 19385187

IUPAC3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine
SMILESCCCCCCCC(CC)OCCCNCCCOC(CC)CCCCCCC
InChIInChI=1S/C26H55NO2/c1-5-9-11-13-15-19-25(7-3)28-23-17-21-27-22-18-24-29-26(8-4)20-16-14-12-10-6-2/h25-27H,5-24H2,1-4H3
InChIKeyPAJQBYKRLYQVHL-UHFFFAOYSA-N
MW413.73 g/mol
LogP7.67
Rot. Bonds24

About 3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine

3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine (PubChem CID 19385187) has the molecular formula C26H55NO2 and a molecular weight of 413.73 g/mol. Its IUPAC name is 3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine.

Molecular Properties

Compound Name3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine
PubChem CID19385187
Molecular FormulaC26H55NO2
Molecular Weight413.73 g/mol
Exact Mass413.42
IUPAC Name3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine
SMILESCCCCCCCC(CC)OCCCNCCCOC(CC)CCCCCCC
InChIInChI=1S/C26H55NO2/c1-5-9-11-13-15-19-25(7-3)28-23-17-21-27-22-18-24-29-26(8-4)20-16-14-12-10-6-2/h25-27H,5-24H2,1-4H3
InChIKeyPAJQBYKRLYQVHL-UHFFFAOYSA-N
XLogP7.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.73
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine?
The IUPAC name of 3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine (CID 19385187) is 3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine.
What is the SMILES notation for 3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine?
The canonical SMILES for 3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine is CCCCCCCC(CC)OCCCNCCCOC(CC)CCCCCCC.
What is the InChIKey of 3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine?
The InChIKey is PAJQBYKRLYQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55NO2/c1-5-9-11-13-15-19-25(7-3)28-23-17-21-27-22-18-24-29-26(8-4)20-16-14-12-10-6-2/h25-27H,5-24H2,1-4H3.
What are the key properties of 3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine?
3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine has a molecular weight of 413.73 g/mol, XLogP of 7.67, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decan-3-yloxy-N-(3-decan-3-yloxypropyl)propan-1-amine is sourced from PubChem (CID 19385187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).