ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine

C16H30N2O — CID 143999016

IUPACethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
SMILESC=C(/C=C\C(=C/C)CN1CCN(C)CC1)OC.CC
InChIInChI=1S/C14H24N2O.C2H6/c1-5-14(7-6-13(2)17-4)12-16-10-8-15(3)9-11-16;1-2/h5-7H,2,8-12H2,1,3-4H3;1-2H3/b7-6-,14-5+;
InChIKeyRLQSBNUVBILFFO-QVTMYGKOSA-N
MW266.43 g/mol
LogP2.92
Rot. Bonds5

About ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine

ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine (PubChem CID 143999016) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
PubChem CID143999016
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Nameethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
SMILESC=C(/C=C\C(=C/C)CN1CCN(C)CC1)OC.CC
InChIInChI=1S/C14H24N2O.C2H6/c1-5-14(7-6-13(2)17-4)12-16-10-8-15(3)9-11-16;1-2/h5-7H,2,8-12H2,1,3-4H3;1-2H3/b7-6-,14-5+;
InChIKeyRLQSBNUVBILFFO-QVTMYGKOSA-N
XLogP2.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methyl-4-[(3Z)-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dienyl]piperazine
CID 144269964
1-methyl-4-[(3Z)-2-methylidene-5-(trifluoromethoxy)hexa-3,5-dienyl]piperazine
CID 144269965
1-(2-Ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine
CID 123482085
1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine
CID 142152733
But-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
CID 142256401
1-(3-Methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
CID 142256402
1-[(5,6-Dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine
CID 142272175
1-[4-[(3Z,5Z)-5,6-dimethoxy-2-methylidenehepta-3,5-dienyl]piperazin-1-yl]propan-1-one
CID 143176103
ethane;(5Z,6E)-5-ethylidene-3-methyl-6-prop-2-enylidene-1,3-oxazinane
CID 143508035
1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine
CID 143655676
1-methyl-4-[2-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxyethyl]piperazine
CID 143935692
ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane
CID 145430745

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?
The IUPAC name of ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine (CID 143999016) is ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine.
What is the SMILES notation for ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?
The canonical SMILES for ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine is C=C(/C=C\C(=C/C)CN1CCN(C)CC1)OC.CC.
What is the InChIKey of ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?
The InChIKey is RLQSBNUVBILFFO-QVTMYGKOSA-N. The full InChI is InChI=1S/C14H24N2O.C2H6/c1-5-14(7-6-13(2)17-4)12-16-10-8-15(3)9-11-16;1-2/h5-7H,2,8-12H2,1,3-4H3;1-2H3/b7-6-,14-5+;.
What are the key properties of ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?
ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine has a molecular weight of 266.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine is sourced from PubChem (CID 143999016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).