1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine

C16H30N2 — CID 2059248

IUPAC1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine
SMILESCCN1CCN(C/C=C(/C)CCC=C(C)C)CC1
InChIInChI=1S/C16H30N2/c1-5-17-11-13-18(14-12-17)10-9-16(4)8-6-7-15(2)3/h7,9H,5-6,8,10-14H2,1-4H3/b16-9-
InChIKeyDGBSESFNQVUNBE-SXGWCWSVSA-N
MW250.43 g/mol
LogP3.32
Rot. Bonds6

About 1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine

1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine (PubChem CID 2059248) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine
PubChem CID2059248
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine
SMILESCCN1CCN(C/C=C(/C)CCC=C(C)C)CC1
InChIInChI=1S/C16H30N2/c1-5-17-11-13-18(14-12-17)10-9-16(4)8-6-7-15(2)3/h7,9H,5-6,8,10-14H2,1-4H3/b16-9-
InChIKeyDGBSESFNQVUNBE-SXGWCWSVSA-N
XLogP3.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z)-3,7-dimethylocta-2,6-dienyl]piperazine
CID 70588103
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1,4-diazepane
CID 44514516
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(2E)-N-[2-(aziridin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 5365864
1-(3-phenylprop-2-ynyl)-4-(3,7,11-trimethyldodeca-2,6,10-trienyl)piperazine
CID 3051281
1-[1-propyl-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazin-2-yl]ethanone
CID 18598243
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;2-methyloxaziridine
CID 20839770
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine?
The IUPAC name of 1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine (CID 2059248) is 1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine is CCN1CCN(C/C=C(/C)CCC=C(C)C)CC1.
What is the InChIKey of 1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine?
The InChIKey is DGBSESFNQVUNBE-SXGWCWSVSA-N. The full InChI is InChI=1S/C16H30N2/c1-5-17-11-13-18(14-12-17)10-9-16(4)8-6-7-15(2)3/h7,9H,5-6,8,10-14H2,1-4H3/b16-9-.
What are the key properties of 1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine?
1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine has a molecular weight of 250.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4-ethylpiperazine is sourced from PubChem (CID 2059248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).