(E)-N-(4-ethylpiperazin-1-yl)propan-1-imine

C9H19N3 — CID 155155153

IUPAC(E)-N-(4-ethylpiperazin-1-yl)propan-1-imine
SMILESCC/C=N/N1CCN(CC)CC1
InChIInChI=1S/C9H19N3/c1-3-5-10-12-8-6-11(4-2)7-9-12/h5H,3-4,6-9H2,1-2H3/b10-5+
InChIKeyXAIGXKLQDGLBBW-BJMVGYQFSA-N
MW169.27 g/mol
LogP1.02
Rot. Bonds3

About (E)-N-(4-ethylpiperazin-1-yl)propan-1-imine

(E)-N-(4-ethylpiperazin-1-yl)propan-1-imine (PubChem CID 155155153) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (E)-N-(4-ethylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-N-(4-ethylpiperazin-1-yl)propan-1-imine
PubChem CID155155153
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(E)-N-(4-ethylpiperazin-1-yl)propan-1-imine
SMILESCC/C=N/N1CCN(CC)CC1
InChIInChI=1S/C9H19N3/c1-3-5-10-12-8-6-11(4-2)7-9-12/h5H,3-4,6-9H2,1-2H3/b10-5+
InChIKeyXAIGXKLQDGLBBW-BJMVGYQFSA-N
XLogP1.02
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-ethylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (E)-N-(4-ethylpiperazin-1-yl)propan-1-imine (CID 155155153) is (E)-N-(4-ethylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (E)-N-(4-ethylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (E)-N-(4-ethylpiperazin-1-yl)propan-1-imine is CC/C=N/N1CCN(CC)CC1.
What is the InChIKey of (E)-N-(4-ethylpiperazin-1-yl)propan-1-imine?
The InChIKey is XAIGXKLQDGLBBW-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-5-10-12-8-6-11(4-2)7-9-12/h5H,3-4,6-9H2,1-2H3/b10-5+.
What are the key properties of (E)-N-(4-ethylpiperazin-1-yl)propan-1-imine?
(E)-N-(4-ethylpiperazin-1-yl)propan-1-imine has a molecular weight of 169.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-ethylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 155155153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).