ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine

C13H24N2 — CID 155746049

IUPACethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine
SMILESC=C(C)/C=C\C(=C)N1CCNCC1.CC
InChIInChI=1S/C11H18N2.C2H6/c1-10(2)4-5-11(3)13-8-6-12-7-9-13;1-2/h4-5,12H,1,3,6-9H2,2H3;1-2H3/b5-4-;
InChIKeyRAJGTFCVVSYEQS-MKWAYWHRSA-N
MW208.35 g/mol
LogP2.56
Rot. Bonds3

About ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine

ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine (PubChem CID 155746049) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine.

Molecular Properties

Compound Nameethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine
PubChem CID155746049
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine
SMILESC=C(C)/C=C\C(=C)N1CCNCC1.CC
InChIInChI=1S/C11H18N2.C2H6/c1-10(2)4-5-11(3)13-8-6-12-7-9-13;1-2/h4-5,12H,1,3,6-9H2,2H3;1-2H3/b5-4-;
InChIKeyRAJGTFCVVSYEQS-MKWAYWHRSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z,4Z,6Z)-5-(trifluoromethyl)octa-2,4,6-trien-4-yl]piperazine
CID 88281887
2-[4-[(3E,5Z)-4-(trifluoromethyl)hepta-1,3,5-trien-2-yl]piperazin-1-yl]ethanamine
CID 88903206
1-(4-Fluorocyclohexa-1,5-dien-1-yl)piperazine
CID 89140548
(3E,5Z)-1-(4-ethylpiperazin-1-yl)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 90140855
1-(2-Fluorohexa-1,3-dien-3-yl)-3-methylpiperazine
CID 123503621
Ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 142167043
1-[(3E,6E)-7-(trifluoromethyl)nona-1,3,6-trien-3-yl]piperazine
CID 142202920
1-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]piperazine
CID 142862529
(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
CID 142871687
1-(5-Fluoro-6-methylcyclohepta-1,4,6-trien-1-yl)piperazine
CID 142930825
1-[(1E,6E)-6-(trifluoromethyl)cycloocta-1,4,6-trien-1-yl]piperazine
CID 143298357
ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
CID 143734563

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine?
The IUPAC name of ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine (CID 155746049) is ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine.
What is the SMILES notation for ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine?
The canonical SMILES for ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine is C=C(C)/C=C\C(=C)N1CCNCC1.CC.
What is the InChIKey of ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine?
The InChIKey is RAJGTFCVVSYEQS-MKWAYWHRSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-10(2)4-5-11(3)13-8-6-12-7-9-13;1-2/h4-5,12H,1,3,6-9H2,2H3;1-2H3/b5-4-;.
What are the key properties of ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine?
ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine has a molecular weight of 208.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]piperazine is sourced from PubChem (CID 155746049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).