1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane

C19H34N2 — CID 142014840

IUPAC1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane
SMILESC/C=c1/cccc(N2CCN(C)CC2)/c1=C/C.CC.CC
InChIInChI=1S/C15H22N2.2C2H6/c1-4-13-7-6-8-15(14(13)5-2)17-11-9-16(3)10-12-17;2*1-2/h4-8H,9-12H2,1-3H3;2*1-2H3/b13-4-,14-5+;;
InChIKeyNUQQGEVNTMRFDT-PGCUXBFJSA-N
MW290.50 g/mol
LogP3.09
Rot. Bonds1

About 1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane

1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane (PubChem CID 142014840) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane.

Molecular Properties

Compound Name1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane
PubChem CID142014840
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane
SMILESC/C=c1/cccc(N2CCN(C)CC2)/c1=C/C.CC.CC
InChIInChI=1S/C15H22N2.2C2H6/c1-4-13-7-6-8-15(14(13)5-2)17-11-9-16(3)10-12-17;2*1-2/h4-8H,9-12H2,1-3H3;2*1-2H3/b13-4-,14-5+;;
InChIKeyNUQQGEVNTMRFDT-PGCUXBFJSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane?
The IUPAC name of 1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane (CID 142014840) is 1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane.
What is the SMILES notation for 1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane?
The canonical SMILES for 1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane is C/C=c1/cccc(N2CCN(C)CC2)/c1=C/C.CC.CC.
What is the InChIKey of 1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane?
The InChIKey is NUQQGEVNTMRFDT-PGCUXBFJSA-N. The full InChI is InChI=1S/C15H22N2.2C2H6/c1-4-13-7-6-8-15(14(13)5-2)17-11-9-16(3)10-12-17;2*1-2/h4-8H,9-12H2,1-3H3;2*1-2H3/b13-4-,14-5+;;.
What are the key properties of 1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane?
1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane has a molecular weight of 290.50 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,6E)-5,6-di(ethylidene)cyclohexa-1,3-dien-1-yl]-4-methylpiperazine;ethane is sourced from PubChem (CID 142014840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).