ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine

C13H28N4 — CID 145198323

IUPACethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
SMILESCC.CCC1CNCCN1/C(N)=C/C=C(/C)N
InChIInChI=1S/C11H22N4.C2H6/c1-3-10-8-14-6-7-15(10)11(13)5-4-9(2)12;1-2/h4-5,10,14H,3,6-8,12-13H2,1-2H3;1-2H3/b9-4-,11-5+;
InChIKeyUXJBJAFTNULIKL-ZYOGKNIWSA-N
MW240.39 g/mol
LogP1.36
Rot. Bonds3

About ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine

ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine (PubChem CID 145198323) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Nameethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
PubChem CID145198323
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Nameethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
SMILESCC.CCC1CNCCN1/C(N)=C/C=C(/C)N
InChIInChI=1S/C11H22N4.C2H6/c1-3-10-8-14-6-7-15(10)11(13)5-4-9(2)12;1-2/h4-5,10,14H,3,6-8,12-13H2,1-2H3;1-2H3/b9-4-,11-5+;
InChIKeyUXJBJAFTNULIKL-ZYOGKNIWSA-N
XLogP1.36
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-2-methylpiperazine
CID 129212975
(1E,3Z)-1-[2-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406643
(1E,3Z)-1-[3-[difluoro(phosphanyl)methyl]piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406739
ethane;(1E,3Z)-1-[3-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197589
(1E,3Z)-1-[3-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197590
1-(1-piperazin-1-ylethyl)-2H-pyridin-4-amine
CID 19068068
(2E,4E)-4-(1,3-diazinan-1-yl)hepta-2,4,6-trien-3-amine
CID 89275770
1-N-(aminomethyl)-4-N-[2-(dimethylamino)ethyl]-4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 90165863
1-Hexa-1,3,5-trien-3-yl-3-methylpiperazine
CID 123835356
(1Z,3E)-1-(methylideneamino)-N-(2-methylpropyl)-3-piperazin-1-ylpenta-1,3-dien-1-amine
CID 132058752
(1E,3Z)-1-(3-methylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406066
(1E,3Z)-1-N'-ethyl-1-N'-[2-(ethylamino)ethyl]penta-1,3-diene-1,1,4-triamine
CID 134406107

Frequently Asked Questions

What is the IUPAC name of ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The IUPAC name of ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine (CID 145198323) is ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The canonical SMILES for ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine is CC.CCC1CNCCN1/C(N)=C/C=C(/C)N.
What is the InChIKey of ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
The InChIKey is UXJBJAFTNULIKL-ZYOGKNIWSA-N. The full InChI is InChI=1S/C11H22N4.C2H6/c1-3-10-8-14-6-7-15(10)11(13)5-4-9(2)12;1-2/h4-5,10,14H,3,6-8,12-13H2,1-2H3;1-2H3/b9-4-,11-5+;.
What are the key properties of ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine?
ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 240.39 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E,3Z)-1-(2-ethylpiperazin-1-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 145198323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).