N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine

C14H31N3O — CID 80550358

IUPACN-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCCOCCN(CC)CC(C)(C)N1CCNCC1
InChIInChI=1S/C14H31N3O/c1-5-16(11-12-18-6-2)13-14(3,4)17-9-7-15-8-10-17/h15H,5-13H2,1-4H3
InChIKeyJRFMADKICFOELW-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.03
Rot. Bonds8

About N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine

N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 80550358) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine
PubChem CID80550358
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC NameN-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCCOCCN(CC)CC(C)(C)N1CCNCC1
InChIInChI=1S/C14H31N3O/c1-5-16(11-12-18-6-2)13-14(3,4)17-9-7-15-8-10-17/h15H,5-13H2,1-4H3
InChIKeyJRFMADKICFOELW-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine (CID 80550358) is N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine is CCOCCN(CC)CC(C)(C)N1CCNCC1.
What is the InChIKey of N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is JRFMADKICFOELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-16(11-12-18-6-2)13-14(3,4)17-9-7-15-8-10-17/h15H,5-13H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine?
N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-ethyl-2-methyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 80550358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).