(E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine

C8H17N3 — CID 166952179

IUPAC(E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine
SMILESC/C=C(\N)N1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-3-8(9)11-6-4-10(2)5-7-11/h3H,4-7,9H2,1-2H3/b8-3+
InChIKeyZIEFKXCNCRZCIX-FPYGCLRLSA-N
MW155.25 g/mol
LogP0.05
Rot. Bonds1

About (E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine

(E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine (PubChem CID 166952179) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is (E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine
PubChem CID166952179
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name(E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine
SMILESC/C=C(\N)N1CCN(C)CC1
InChIInChI=1S/C8H17N3/c1-3-8(9)11-6-4-10(2)5-7-11/h3H,4-7,9H2,1-2H3/b8-3+
InChIKeyZIEFKXCNCRZCIX-FPYGCLRLSA-N
XLogP0.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The IUPAC name of (E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine (CID 166952179) is (E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine.
What is the SMILES notation for (E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The canonical SMILES for (E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine is C/C=C(\N)N1CCN(C)CC1.
What is the InChIKey of (E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The InChIKey is ZIEFKXCNCRZCIX-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-8(9)11-6-4-10(2)5-7-11/h3H,4-7,9H2,1-2H3/b8-3+.
What are the key properties of (E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
(E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine has a molecular weight of 155.25 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-methylpiperazin-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 166952179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).