ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine

C24H40N2S — CID 144698876

IUPACethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine
SMILESC=C/C(=C\C=C/C)C(SCCN1CCNCC1)C(/C=C\C)=C/C=C\C.CC
InChIInChI=1S/C22H34N2S.C2H6/c1-5-9-12-20(8-4)22(21(11-7-3)13-10-6-2)25-19-18-24-16-14-23-15-17-24;1-2/h5-13,22-23H,4,14-19H2,1-3H3;1-2H3/b9-5-,10-6-,11-7-,20-12+,21-13+;
InChIKeyFRSVKSADQZGJIM-JSMCWBKXSA-N
MW388.67 g/mol
LogP5.79
Rot. Bonds10

About ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine

ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine (PubChem CID 144698876) has the molecular formula C24H40N2S and a molecular weight of 388.67 g/mol. Its IUPAC name is ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine.

Molecular Properties

Compound Nameethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine
PubChem CID144698876
Molecular FormulaC24H40N2S
Molecular Weight388.67 g/mol
Exact Mass388.29
IUPAC Nameethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine
SMILESC=C/C(=C\C=C/C)C(SCCN1CCNCC1)C(/C=C\C)=C/C=C\C.CC
InChIInChI=1S/C22H34N2S.C2H6/c1-5-9-12-20(8-4)22(21(11-7-3)13-10-6-2)25-19-18-24-16-14-23-15-17-24;1-2/h5-13,22-23H,4,14-19H2,1-3H3;1-2H3/b9-5-,10-6-,11-7-,20-12+,21-13+;
InChIKeyFRSVKSADQZGJIM-JSMCWBKXSA-N
XLogP5.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.67
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine with MolForge

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Related Compounds

1-[2-[(2E,4Z)-2-ethenyl-1-phenylhexa-2,4-dienyl]sulfanylethyl]piperazine
CID 144698887
1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine
CID 129043366
ethane;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
1-(2-tert-butylsulfanylethyl)piperazine
CID 58842925
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene
CID 143311631
(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine
CID 145197990
4-methylpenta-1,3-diene;1-propylpiperazine
CID 142068164
1-oct-7-enylpiperazine
CID 67041339
ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
CID 143201659
(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
CID 88880590
ethene;2-piperazin-1-ylethanol
CID 175244492

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine?
The IUPAC name of ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine (CID 144698876) is ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine.
What is the SMILES notation for ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine?
The canonical SMILES for ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine is C=C/C(=C\C=C/C)C(SCCN1CCNCC1)C(/C=C\C)=C/C=C\C.CC.
What is the InChIKey of ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine?
The InChIKey is FRSVKSADQZGJIM-JSMCWBKXSA-N. The full InChI is InChI=1S/C22H34N2S.C2H6/c1-5-9-12-20(8-4)22(21(11-7-3)13-10-6-2)25-19-18-24-16-14-23-15-17-24;1-2/h5-13,22-23H,4,14-19H2,1-3H3;1-2H3/b9-5-,10-6-,11-7-,20-12+,21-13+;.
What are the key properties of ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine?
ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine has a molecular weight of 388.67 g/mol, XLogP of 5.79, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine is sourced from PubChem (CID 144698876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).