3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine

C13H26N4 — CID 142409574

IUPAC3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine
SMILESCCN1CCN(CCC/N=C/C(C)=CN)CC1
InChIInChI=1S/C13H26N4/c1-3-16-7-9-17(10-8-16)6-4-5-15-12-13(2)11-14/h11-12H,3-10,14H2,1-2H3/b13-11?,15-12+
InChIKeyMZAFRFMYYRXLND-PJKVAQKISA-N
MW238.38 g/mol
LogP0.95
Rot. Bonds6

About 3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine

3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine (PubChem CID 142409574) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine.

Molecular Properties

Compound Name3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine
PubChem CID142409574
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine
SMILESCCN1CCN(CCC/N=C/C(C)=CN)CC1
InChIInChI=1S/C13H26N4/c1-3-16-7-9-17(10-8-16)6-4-5-15-12-13(2)11-14/h11-12H,3-10,14H2,1-2H3/b13-11?,15-12+
InChIKeyMZAFRFMYYRXLND-PJKVAQKISA-N
XLogP0.95
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine?
The IUPAC name of 3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine (CID 142409574) is 3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine.
What is the SMILES notation for 3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine?
The canonical SMILES for 3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine is CCN1CCN(CCC/N=C/C(C)=CN)CC1.
What is the InChIKey of 3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine?
The InChIKey is MZAFRFMYYRXLND-PJKVAQKISA-N. The full InChI is InChI=1S/C13H26N4/c1-3-16-7-9-17(10-8-16)6-4-5-15-12-13(2)11-14/h11-12H,3-10,14H2,1-2H3/b13-11?,15-12+.
What are the key properties of 3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine?
3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine has a molecular weight of 238.38 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylpiperazin-1-yl)propylimino]-2-methylprop-1-en-1-amine is sourced from PubChem (CID 142409574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).