3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine

C13H29N3O — CID 43457114

IUPAC3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine
SMILESCCOCCN1CCN(C(CC)CCN)CC1
InChIInChI=1S/C13H29N3O/c1-3-13(5-6-14)16-9-7-15(8-10-16)11-12-17-4-2/h13H,3-12,14H2,1-2H3
InChIKeyWCXYTOMCCBUDDQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.77
Rot. Bonds8

About 3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine

3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine (PubChem CID 43457114) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine
PubChem CID43457114
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine
SMILESCCOCCN1CCN(C(CC)CCN)CC1
InChIInChI=1S/C13H29N3O/c1-3-13(5-6-14)16-9-7-15(8-10-16)11-12-17-4-2/h13H,3-12,14H2,1-2H3
InChIKeyWCXYTOMCCBUDDQ-UHFFFAOYSA-N
XLogP0.77
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.77
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 3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine (CID 43457114) is 3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine is CCOCCN1CCN(C(CC)CCN)CC1.
What is the InChIKey of 3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is WCXYTOMCCBUDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-3-13(5-6-14)16-9-7-15(8-10-16)11-12-17-4-2/h13H,3-12,14H2,1-2H3.
What are the key properties of 3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine?
3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-ethoxyethyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 43457114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).