1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane

C26H44N2 — CID 143502636

IUPAC1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane
SMILESC=C(C)/C(=C/C)C/C(=C\C)CCCCN1CCN(C2=CC=CCC2)CC1.CC
InChIInChI=1S/C24H38N2.C2H6/c1-5-22(20-23(6-2)21(3)4)12-10-11-15-25-16-18-26(19-17-25)24-13-8-7-9-14-24;1-2/h5-8,13H,3,9-12,14-20H2,1-2,4H3;1-2H3/b22-5-,23-6+;
InChIKeyDEUHHDJGURXLFQ-QCYIEEOHSA-N
MW384.65 g/mol
LogP6.89
Rot. Bonds9

About 1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane

1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane (PubChem CID 143502636) has the molecular formula C26H44N2 and a molecular weight of 384.65 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane
PubChem CID143502636
Molecular FormulaC26H44N2
Molecular Weight384.65 g/mol
Exact Mass384.35
IUPAC Name1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane
SMILESC=C(C)/C(=C/C)C/C(=C\C)CCCCN1CCN(C2=CC=CCC2)CC1.CC
InChIInChI=1S/C24H38N2.C2H6/c1-5-22(20-23(6-2)21(3)4)12-10-11-15-25-16-18-26(19-17-25)24-13-8-7-9-14-24;1-2/h5-8,13H,3,9-12,14-20H2,1-2,4H3;1-2H3/b22-5-,23-6+;
InChIKeyDEUHHDJGURXLFQ-QCYIEEOHSA-N
XLogP6.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-(6-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 163511248
N,N,N'-trimethyl-N'-[2-[(E)-oct-1-enyl]cyclopenten-1-yl]ethane-1,2-diamine
CID 13804630
(1S,2S)-8-methyl-3-propan-2-yl-6-propyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 18597965
(1S,2S)-6-butyl-3-ethyl-8-methyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 22828628
(1S,2S)-8-methyl-3,6-dipropyl-3,6,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-8,11(16),12-triene
CID 22828644
1-Methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-2,3-dihydropyrazine
CID 59371108
1-Methyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 59371110
1-Methyl-4-(3-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 59371111
1,2-Dimethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)piperazine
CID 68344064
1-(4-Butylcyclohexa-1,3-dien-1-yl)-4-[1-(1-cyclohexa-1,5-dien-1-ylethyl)piperidin-4-yl]piperazine
CID 70875860
N,N-dibutyl-6-hexylcyclohexa-1,5-dien-1-amine
CID 71283006
(2R)-1-[(7aS)-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-7,7a-dihydroindol-1-yl]-N,N-dimethylpropan-2-amine
CID 88201893

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane (CID 143502636) is 1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane is C=C(C)/C(=C/C)C/C(=C\C)CCCCN1CCN(C2=CC=CCC2)CC1.CC.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane?
The InChIKey is DEUHHDJGURXLFQ-QCYIEEOHSA-N. The full InChI is InChI=1S/C24H38N2.C2H6/c1-5-22(20-23(6-2)21(3)4)12-10-11-15-25-16-18-26(19-17-25)24-13-8-7-9-14-24;1-2/h5-8,13H,3,9-12,14-20H2,1-2,4H3;1-2H3/b22-5-,23-6+;.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane?
1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane has a molecular weight of 384.65 g/mol, XLogP of 6.89, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-4-[(E,5Z)-5-ethylidene-7-prop-1-en-2-ylnon-7-enyl]piperazine;ethane is sourced from PubChem (CID 143502636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).