ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine

C26H43N — CID 142431551

IUPACethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine
SMILESC=C.C=C/C=C(/CC)CCN1CCC(CCC(/C=C(/C)C=C)=C/CC)CC1
InChIInChI=1S/C24H39N.C2H4/c1-6-10-22(9-4)14-17-25-18-15-23(16-19-25)12-13-24(11-7-2)20-21(5)8-3;1-2/h6,8,10-11,20,23H,1,3,7,9,12-19H2,2,4-5H3;1-2H2/b21-20-,22-10-,24-11-;
InChIKeyMNMVYOSDDACNAN-HXCPXZJSSA-N
MW369.64 g/mol
LogP7.66
Rot. Bonds11

About ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine

ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine (PubChem CID 142431551) has the molecular formula C26H43N and a molecular weight of 369.64 g/mol. Its IUPAC name is ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine.

Molecular Properties

Compound Nameethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine
PubChem CID142431551
Molecular FormulaC26H43N
Molecular Weight369.64 g/mol
Exact Mass369.34
IUPAC Nameethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine
SMILESC=C.C=C/C=C(/CC)CCN1CCC(CCC(/C=C(/C)C=C)=C/CC)CC1
InChIInChI=1S/C24H39N.C2H4/c1-6-10-22(9-4)14-17-25-18-15-23(16-19-25)12-13-24(11-7-2)20-21(5)8-3;1-2/h6,8,10-11,20,23H,1,3,7,9,12-19H2,2,4-5H3;1-2H2/b21-20-,22-10-,24-11-;
InChIKeyMNMVYOSDDACNAN-HXCPXZJSSA-N
XLogP7.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.64
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Halicyclamine A
CID 10479489
1-Methyl-1-((2,4,6-trimethylcyclohex-3-en-1-yl)methyl)piperidin-1-ium iodide
CID 16189254
1-Methyl-1-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]piperidinium
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(4Z,6Z,14S,19Z,21Z,29S,30S)-1,16-diazatetracyclo[27.3.1.112,16.014,30]tetratriaconta-4,6,12,19,21-pentaene
CID 162908492
1-(3,7-Dimethyloct-6-en-1-yl)piperidine
CID 3592771
1-(4-Prop-1-en-2-ylcyclohex-2-en-1-yl)piperidine
CID 12485228
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
2-Ethyltetrahydroisoquinoline
CID 129739616
3,7-dimethyl-N,N-dipropyloct-6-en-1-amine
CID 13945554
N-(3-ethylheptyl)-1,5-difluoro-N-(2-methylpentyl)cyclohexa-2,4-dien-1-amine
CID 17948343
N-(3-ethylheptyl)-1-fluoro-N-methylcyclohexa-2,4-dien-1-amine
CID 23123206

Frequently Asked Questions

What is the IUPAC name of ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine?
The IUPAC name of ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine (CID 142431551) is ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine.
What is the SMILES notation for ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine?
The canonical SMILES for ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine is C=C.C=C/C=C(/CC)CCN1CCC(CCC(/C=C(/C)C=C)=C/CC)CC1.
What is the InChIKey of ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine?
The InChIKey is MNMVYOSDDACNAN-HXCPXZJSSA-N. The full InChI is InChI=1S/C24H39N.C2H4/c1-6-10-22(9-4)14-17-25-18-15-23(16-19-25)12-13-24(11-7-2)20-21(5)8-3;1-2/h6,8,10-11,20,23H,1,3,7,9,12-19H2,2,4-5H3;1-2H2/b21-20-,22-10-,24-11-;.
What are the key properties of ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine?
ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine has a molecular weight of 369.64 g/mol, XLogP of 7.66, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-[(3Z)-3-ethylhexa-3,5-dienyl]-4-[(3Z,4Z)-5-methyl-3-propylidenehepta-4,6-dienyl]piperidine is sourced from PubChem (CID 142431551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).