(1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine

C11H22N4 — CID 134406677

IUPAC(1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
SMILESCCN1CCN(/C(N)=C/C=C(/C)N)CC1
InChIInChI=1S/C11H22N4/c1-3-14-6-8-15(9-7-14)11(13)5-4-10(2)12/h4-5H,3,6-9,12-13H2,1-2H3/b10-4-,11-5+
InChIKeyGOJSTLSFMSKMDM-WIZYTBDYSA-N
MW210.32 g/mol
LogP0.29
Rot. Bonds3

About (1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine

(1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine (PubChem CID 134406677) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is (1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
PubChem CID134406677
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name(1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
SMILESCCN1CCN(/C(N)=C/C=C(/C)N)CC1
InChIInChI=1S/C11H22N4/c1-3-14-6-8-15(9-7-14)11(13)5-4-10(2)12/h4-5H,3,6-9,12-13H2,1-2H3/b10-4-,11-5+
InChIKeyGOJSTLSFMSKMDM-WIZYTBDYSA-N
XLogP0.29
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine (CID 134406677) is (1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine is CCN1CCN(/C(N)=C/C=C(/C)N)CC1.
What is the InChIKey of (1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The InChIKey is GOJSTLSFMSKMDM-WIZYTBDYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-14-6-8-15(9-7-14)11(13)5-4-10(2)12/h4-5H,3,6-9,12-13H2,1-2H3/b10-4-,11-5+.
What are the key properties of (1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(4-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 134406677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).