2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine

C34H71N3O3 — CID 166733561

IUPAC2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine
SMILESCCCCCCC(CCCC)CNCCOCCOCCOCCN1CCN(C(CCCC)CCCCC)CC1
InChIInChI=1S/C34H71N3O3/c1-5-9-13-15-17-33(16-11-7-3)32-35-20-26-38-28-30-40-31-29-39-27-25-36-21-23-37(24-22-36)34(18-12-8-4)19-14-10-6-2/h33-35H,5-32H2,1-4H3
InChIKeyQQUCUGNELJHDSA-UHFFFAOYSA-N
MW569.96 g/mol
LogP7.16
Rot. Bonds30

About 2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine

2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine (PubChem CID 166733561) has the molecular formula C34H71N3O3 and a molecular weight of 569.96 g/mol. Its IUPAC name is 2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine.

Molecular Properties

Compound Name2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine
PubChem CID166733561
Molecular FormulaC34H71N3O3
Molecular Weight569.96 g/mol
Exact Mass569.55
IUPAC Name2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine
SMILESCCCCCCC(CCCC)CNCCOCCOCCOCCN1CCN(C(CCCC)CCCCC)CC1
InChIInChI=1S/C34H71N3O3/c1-5-9-13-15-17-33(16-11-7-3)32-35-20-26-38-28-30-40-31-29-39-27-25-36-21-23-37(24-22-36)34(18-12-8-4)19-14-10-6-2/h33-35H,5-32H2,1-4H3
InChIKeyQQUCUGNELJHDSA-UHFFFAOYSA-N
XLogP7.16
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.96
LogP ≤ 57.16
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 2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine?
The IUPAC name of 2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine (CID 166733561) is 2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine.
What is the SMILES notation for 2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine?
The canonical SMILES for 2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine is CCCCCCC(CCCC)CNCCOCCOCCOCCN1CCN(C(CCCC)CCCCC)CC1.
What is the InChIKey of 2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine?
The InChIKey is QQUCUGNELJHDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H71N3O3/c1-5-9-13-15-17-33(16-11-7-3)32-35-20-26-38-28-30-40-31-29-39-27-25-36-21-23-37(24-22-36)34(18-12-8-4)19-14-10-6-2/h33-35H,5-32H2,1-4H3.
What are the key properties of 2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine?
2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine has a molecular weight of 569.96 g/mol, XLogP of 7.16, 30 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[2-[2-[2-[2-(4-decan-5-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]octan-1-amine is sourced from PubChem (CID 166733561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).