N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine

C12H27N3O3 — CID 44592948

IUPACN-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine
SMILESCCOCCOCCOCCNN1CCNCC1
InChIInChI=1S/C12H27N3O3/c1-2-16-9-10-18-12-11-17-8-5-14-15-6-3-13-4-7-15/h13-14H,2-12H2,1H3
InChIKeyPEMDGIUERQZKAX-UHFFFAOYSA-N
MW261.37 g/mol
LogP-0.53
Rot. Bonds11

About N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine

N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine (PubChem CID 44592948) has the molecular formula C12H27N3O3 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine
PubChem CID44592948
Molecular FormulaC12H27N3O3
Molecular Weight261.37 g/mol
Exact Mass261.21
IUPAC NameN-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine
SMILESCCOCCOCCOCCNN1CCNCC1
InChIInChI=1S/C12H27N3O3/c1-2-16-9-10-18-12-11-17-8-5-14-15-6-3-13-4-7-15/h13-14H,2-12H2,1H3
InChIKeyPEMDGIUERQZKAX-UHFFFAOYSA-N
XLogP-0.53
TPSA54.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
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 N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine?
The IUPAC name of N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine (CID 44592948) is N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine.
What is the SMILES notation for N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine?
The canonical SMILES for N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine is CCOCCOCCOCCNN1CCNCC1.
What is the InChIKey of N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine?
The InChIKey is PEMDGIUERQZKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O3/c1-2-16-9-10-18-12-11-17-8-5-14-15-6-3-13-4-7-15/h13-14H,2-12H2,1H3.
What are the key properties of N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine?
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine has a molecular weight of 261.37 g/mol, XLogP of -0.53, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]piperazin-1-amine is sourced from PubChem (CID 44592948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).