ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine

C12H24N2 — CID 145028998

IUPACethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine
SMILESC=C/C=C(\C)C1CN(C)CCN1.CC
InChIInChI=1S/C10H18N2.C2H6/c1-4-5-9(2)10-8-12(3)7-6-11-10;1-2/h4-5,10-11H,1,6-8H2,2-3H3;1-2H3/b9-5+;
InChIKeyOQRAURNEBZOQGF-SZKNIZGXSA-N
MW196.34 g/mol
LogP2.05
Rot. Bonds2

About ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine

ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine (PubChem CID 145028998) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine.

Molecular Properties

Compound Nameethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine
PubChem CID145028998
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nameethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine
SMILESC=C/C=C(\C)C1CN(C)CCN1.CC
InChIInChI=1S/C10H18N2.C2H6/c1-4-5-9(2)10-8-12(3)7-6-11-10;1-2/h4-5,10-11H,1,6-8H2,2-3H3;1-2H3/b9-5+;
InChIKeyOQRAURNEBZOQGF-SZKNIZGXSA-N
XLogP2.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.05
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
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
6-(4-Ethylpiperazin-1-yl)-6-fluorocyclohexa-2,4-dien-1-amine
CID 118296270
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
N-[4-(1-aminoethyl)-6-(fluoromethyl)cyclohexa-2,4-dien-1-yl]-N',N'-diethylethane-1,2-diamine
CID 129289920
(2R,5S)-1-[(1-fluorocyclohexa-2,4-dien-1-yl)methyl]-2,5-dimethylpiperazine
CID 141346483
(3S)-1-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4,6-trienyl]-3-methylpiperazine
CID 142262364
(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
CID 142871687
1-[(2E,4E)-5-fluoro-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)-2-methylhepta-2,4,6-trienyl]piperazine
CID 143127924
1-[(2E,4E)-5-fluoro-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)-2-methylhepta-2,4,6-trienyl]piperazine
CID 143127950
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine?
The IUPAC name of ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine (CID 145028998) is ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine.
What is the SMILES notation for ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine?
The canonical SMILES for ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine is C=C/C=C(\C)C1CN(C)CCN1.CC.
What is the InChIKey of ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine?
The InChIKey is OQRAURNEBZOQGF-SZKNIZGXSA-N. The full InChI is InChI=1S/C10H18N2.C2H6/c1-4-5-9(2)10-8-12(3)7-6-11-10;1-2/h4-5,10-11H,1,6-8H2,2-3H3;1-2H3/b9-5+;.
What are the key properties of ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine?
ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine has a molecular weight of 196.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[(2E)-penta-2,4-dien-2-yl]piperazine is sourced from PubChem (CID 145028998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).