ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane

C17H34N2 — CID 142075739

IUPACethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane
SMILESC=CN1CCNCC1C(/C=C\C)=C/C.CC.CCC
InChIInChI=1S/C12H20N2.C3H8.C2H6/c1-4-7-11(5-2)12-10-13-8-9-14(12)6-3;1-3-2;1-2/h4-7,12-13H,3,8-10H2,1-2H3;3H2,1-2H3;1-2H3/b7-4-,11-5+;;
InChIKeyQLEQKCRFMHAQKW-SXBOFFEESA-N
MW266.47 g/mol
LogP4.37
Rot. Bonds3

About ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane

ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane (PubChem CID 142075739) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane.

Molecular Properties

Compound Nameethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane
PubChem CID142075739
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Nameethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane
SMILESC=CN1CCNCC1C(/C=C\C)=C/C.CC.CCC
InChIInChI=1S/C12H20N2.C3H8.C2H6/c1-4-7-11(5-2)12-10-13-8-9-14(12)6-3;1-3-2;1-2/h4-7,12-13H,3,8-10H2,1-2H3;3H2,1-2H3;1-2H3/b7-4-,11-5+;;
InChIKeyQLEQKCRFMHAQKW-SXBOFFEESA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine
CID 659118
(E)-6,10-dimethyl-N-(2-(piperazin-1-yl)ethyl)undeca-5,9-dien-2-amine
CID 5389110
N-methyltetrahydroquinoxaline
CID 129794484
(3E)-4-[4-[(3E)-3-ethyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazin-1-yl]-N-(2-methylpropyl)penta-1,3-dien-2-amine
CID 88576759
1-N-[(3Z)-3-(3-ethenyl-5-methyl-2-methylidene-1-pyridinyl)penta-1,3-dien-2-yl]-4,4,4-trifluorobutane-1,2-diamine
CID 134189210
1-[(Z)-1-(5-ethenyl-3-methyl-1-propyl-4H-pyridin-2-yl)-1-fluoroprop-1-en-2-yl]-3,5-dimethylpiperazine
CID 135160132
[(1E)-2,6-Dimethylhepta-1,5-dien-1-yl][2-(2-ethylpiperidin-1-yl)ethyl]amine
CID 3006131
(2R,3R)-2,3-bis[(1E)-2-methylpenta-1,4-dienyl]piperazine
CID 134993990
(3S)-1-[(5-fluorocyclohepta-1,3,5-trien-1-yl)methyl]-3-methylpiperazine
CID 143422381
(7Z,9E)-9-fluoro-1,2,12-trimethyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-diazacyclododeca-5,7,9-triene
CID 153380018
4-N-[3-(dibutylamino)propyl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598922
1-Methyl-2,3,4,9a-tetrahydro-1,4-benzodiazepin-8-amine
CID 67264034

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane?
The IUPAC name of ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane (CID 142075739) is ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane.
What is the SMILES notation for ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane?
The canonical SMILES for ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane is C=CN1CCNCC1C(/C=C\C)=C/C.CC.CCC.
What is the InChIKey of ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane?
The InChIKey is QLEQKCRFMHAQKW-SXBOFFEESA-N. The full InChI is InChI=1S/C12H20N2.C3H8.C2H6/c1-4-7-11(5-2)12-10-13-8-9-14(12)6-3;1-3-2;1-2/h4-7,12-13H,3,8-10H2,1-2H3;3H2,1-2H3;1-2H3/b7-4-,11-5+;;.
What are the key properties of ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane?
ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane has a molecular weight of 266.47 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-2-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazine;propane is sourced from PubChem (CID 142075739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).