N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine

C19H41N3O3 — CID 167191561

IUPACN-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H41N3O3/c1-5-6-20-7-13-23-15-17-25-18-16-24-14-12-21-8-10-22(11-9-21)19(2,3)4/h20H,5-18H2,1-4H3
InChIKeyFJIKNMOTBCEDFZ-UHFFFAOYSA-N
MW359.56 g/mol
LogP1.45
Rot. Bonds14

About N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine

N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine (PubChem CID 167191561) has the molecular formula C19H41N3O3 and a molecular weight of 359.56 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
PubChem CID167191561
Molecular FormulaC19H41N3O3
Molecular Weight359.56 g/mol
Exact Mass359.31
IUPAC NameN-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCOCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C19H41N3O3/c1-5-6-20-7-13-23-15-17-25-18-16-24-14-12-21-8-10-22(11-9-21)19(2,3)4/h20H,5-18H2,1-4H3
InChIKeyFJIKNMOTBCEDFZ-UHFFFAOYSA-N
XLogP1.45
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 51.45
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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Related Compounds

1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
CID 166875795
1-tert-butyl-4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 171446821
1-tert-butyl-4-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]piperazine
CID 135167668
1-tert-butyl-4-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethyl]piperazine
CID 139545698
N-[2-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]butan-1-amine;molecular hydrogen
CID 155582630
2-(2-pyrrolidin-1-ylethoxy)-N-[2-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]ethyl]ethanamine
CID 118891597
1-tert-butyl-4-propylpiperazine
CID 58721754
N-[2-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethoxy]ethyl]-2-methylpropan-1-amine
CID 148587851
2,2-dimethyl-N-[2-[2-[2-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 169019370
N-(2-butoxyethyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 62574670
ethane;molecular hydrogen;N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]butan-1-amine
CID 170584628
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine (CID 167191561) is N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine is CCCNCCOCCOCCOCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The InChIKey is FJIKNMOTBCEDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3O3/c1-5-6-20-7-13-23-15-17-25-18-16-24-14-12-21-8-10-22(11-9-21)19(2,3)4/h20H,5-18H2,1-4H3.
What are the key properties of N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine has a molecular weight of 359.56 g/mol, XLogP of 1.45, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 167191561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).