(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine

C10H21N3 — CID 139552229

IUPAC(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine
SMILESCCN1CCN(/N=C/C(C)C)CC1
InChIInChI=1S/C10H21N3/c1-4-12-5-7-13(8-6-12)11-9-10(2)3/h9-10H,4-8H2,1-3H3/b11-9+
InChIKeyUYLXEQNOFYLQKG-PKNBQFBNSA-N
MW183.30 g/mol
LogP1.27
Rot. Bonds3

About (E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine

(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine (PubChem CID 139552229) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is (E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine
PubChem CID139552229
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine
SMILESCCN1CCN(/N=C/C(C)C)CC1
InChIInChI=1S/C10H21N3/c1-4-12-5-7-13(8-6-12)11-9-10(2)3/h9-10H,4-8H2,1-3H3/b11-9+
InChIKeyUYLXEQNOFYLQKG-PKNBQFBNSA-N
XLogP1.27
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.27
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)-2-methylpropan-1-imine?
The IUPAC name of (E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine (CID 139552229) is (E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine.
What is the SMILES notation for (E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine?
The canonical SMILES for (E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine is CCN1CCN(/N=C/C(C)C)CC1.
What is the InChIKey of (E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine?
The InChIKey is UYLXEQNOFYLQKG-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-12-5-7-13(8-6-12)11-9-10(2)3/h9-10H,4-8H2,1-3H3/b11-9+.
What are the key properties of (E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine?
(E)-N-(4-ethylpiperazin-1-yl)-2-methylpropan-1-imine has a molecular weight of 183.30 g/mol, XLogP of 1.27, 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)-2-methylpropan-1-imine is sourced from PubChem (CID 139552229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).