N-methyl-2-(4-propylpiperazin-1-yl)ethanimine

C10H21N3 — CID 20806281

IUPACN-methyl-2-(4-propylpiperazin-1-yl)ethanimine
SMILESCCCN1CCN(C/C=N/C)CC1
InChIInChI=1S/C10H21N3/c1-3-5-12-7-9-13(10-8-12)6-4-11-2/h4H,3,5-10H2,1-2H3/b11-4+
InChIKeyFBNUBDUVGGBLNL-NYYWCZLTSA-N
MW183.30 g/mol
LogP0.71
Rot. Bonds4

About N-methyl-2-(4-propylpiperazin-1-yl)ethanimine

N-methyl-2-(4-propylpiperazin-1-yl)ethanimine (PubChem CID 20806281) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is N-methyl-2-(4-propylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound NameN-methyl-2-(4-propylpiperazin-1-yl)ethanimine
PubChem CID20806281
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC NameN-methyl-2-(4-propylpiperazin-1-yl)ethanimine
SMILESCCCN1CCN(C/C=N/C)CC1
InChIInChI=1S/C10H21N3/c1-3-5-12-7-9-13(10-8-12)6-4-11-2/h4H,3,5-10H2,1-2H3/b11-4+
InChIKeyFBNUBDUVGGBLNL-NYYWCZLTSA-N
XLogP0.71
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.71
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 N-methyl-2-(4-propylpiperazin-1-yl)ethanimine?
The IUPAC name of N-methyl-2-(4-propylpiperazin-1-yl)ethanimine (CID 20806281) is N-methyl-2-(4-propylpiperazin-1-yl)ethanimine.
What is the SMILES notation for N-methyl-2-(4-propylpiperazin-1-yl)ethanimine?
The canonical SMILES for N-methyl-2-(4-propylpiperazin-1-yl)ethanimine is CCCN1CCN(C/C=N/C)CC1.
What is the InChIKey of N-methyl-2-(4-propylpiperazin-1-yl)ethanimine?
The InChIKey is FBNUBDUVGGBLNL-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H21N3/c1-3-5-12-7-9-13(10-8-12)6-4-11-2/h4H,3,5-10H2,1-2H3/b11-4+.
What are the key properties of N-methyl-2-(4-propylpiperazin-1-yl)ethanimine?
N-methyl-2-(4-propylpiperazin-1-yl)ethanimine has a molecular weight of 183.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propylpiperazin-1-yl)ethanimine is sourced from PubChem (CID 20806281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).