ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine

C11H24N4 — CID 145197635

IUPACethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCNCC1.CC
InChIInChI=1S/C9H18N4.C2H6/c1-8(10)2-3-9(11)13-6-4-12-5-7-13;1-2/h2-3,12H,4-7,10-11H2,1H3;1-2H3/b8-2-,9-3+;
InChIKeyDKDDKKGOMSJNNZ-PTTYOVCCSA-N
MW212.34 g/mol
LogP0.58
Rot. Bonds2

About ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine

ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine (PubChem CID 145197635) has the molecular formula C11H24N4 and a molecular weight of 212.34 g/mol. Its IUPAC name is ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Nameethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine
PubChem CID145197635
Molecular FormulaC11H24N4
Molecular Weight212.34 g/mol
Exact Mass212.20
IUPAC Nameethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCNCC1.CC
InChIInChI=1S/C9H18N4.C2H6/c1-8(10)2-3-9(11)13-6-4-12-5-7-13;1-2/h2-3,12H,4-7,10-11H2,1H3;1-2H3/b8-2-,9-3+;
InChIKeyDKDDKKGOMSJNNZ-PTTYOVCCSA-N
XLogP0.58
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.58
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

(1E,3Z)-1-[2-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406643
(1E,3Z)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406672
ethane;(1E,3Z)-1-[3-(trifluoromethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197589
ethane;(1E,3Z)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]penta-1,3-diene-1,4-diamine
CID 145197864
(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
1-(1,2-Dihydropyridin-6-yl)-4-methylpiperazine
CID 22636472
1-(1-methyl-2H-pyridin-6-yl)piperazine
CID 56626623
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperazine
CID 88286852
(1E,3Z)-2-(4-methylpiperazin-1-yl)hexa-1,3,5-triene-1,5-diamine
CID 88564313
(1E,3Z)-1-piperazin-1-ylhexa-1,3,5-trien-1-amine
CID 89109784
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]piperazine
CID 89117790

Frequently Asked Questions

What is the IUPAC name of ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine?
The IUPAC name of ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine (CID 145197635) is ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine.
What is the SMILES notation for ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine?
The canonical SMILES for ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCNCC1.CC.
What is the InChIKey of ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine?
The InChIKey is DKDDKKGOMSJNNZ-PTTYOVCCSA-N. The full InChI is InChI=1S/C9H18N4.C2H6/c1-8(10)2-3-9(11)13-6-4-12-5-7-13;1-2/h2-3,12H,4-7,10-11H2,1H3;1-2H3/b8-2-,9-3+;.
What are the key properties of ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine?
ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine has a molecular weight of 212.34 g/mol, XLogP of 0.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1E,3Z)-1-piperazin-1-ylpenta-1,3-diene-1,4-diamine is sourced from PubChem (CID 145197635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).