ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine

C16H36N2 — CID 142028302

IUPACethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine
SMILESC/C=C(\CC)C(C)N1CCN(C)CC1.CC.CC
InChIInChI=1S/C12H24N2.2C2H6/c1-5-12(6-2)11(3)14-9-7-13(4)8-10-14;2*1-2/h5,11H,6-10H2,1-4H3;2*1-2H3/b12-5+;;
InChIKeyFFEPZVVYAQVKGA-ORQKEDRFSA-N
MW256.48 g/mol
LogP4.03
Rot. Bonds3

About ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine

ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine (PubChem CID 142028302) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Nameethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine
PubChem CID142028302
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Nameethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine
SMILESC/C=C(\CC)C(C)N1CCN(C)CC1.CC.CC
InChIInChI=1S/C12H24N2.2C2H6/c1-5-12(6-2)11(3)14-9-7-13(4)8-10-14;2*1-2/h5,11H,6-10H2,1-4H3;2*1-2H3/b12-5+;;
InChIKeyFFEPZVVYAQVKGA-ORQKEDRFSA-N
XLogP4.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.03
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-methyl-4-pent-2-en-3-ylpiperazine
CID 123450021
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-[1-(4,7-dimethyl-1,4,7-triazonan-1-yl)propyl]-4,7-dimethyl-1,4,7-triazonane
CID 118278399
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
1,4-dimethylpiperazine;ethane
CID 91292414
(2R)-2-(4-methylpiperazin-1-yl)-N,N-di(propan-2-yl)propanamide
CID 1439200
1-(3-methylimidazolidin-1-yl)ethanol
CID 122204865
[(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane
CID 173072469
2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane
CID 123313740
1-(2,6-dimethylheptan-4-yl)-4-methylpiperazine
CID 58786587
1-[(1R)-1-chloropropyl]-4-methylpiperazine
CID 34175169

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine?
The IUPAC name of ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine (CID 142028302) is ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine.
What is the SMILES notation for ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine?
The canonical SMILES for ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine is C/C=C(\CC)C(C)N1CCN(C)CC1.CC.CC.
What is the InChIKey of ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine?
The InChIKey is FFEPZVVYAQVKGA-ORQKEDRFSA-N. The full InChI is InChI=1S/C12H24N2.2C2H6/c1-5-12(6-2)11(3)14-9-7-13(4)8-10-14;2*1-2/h5,11H,6-10H2,1-4H3;2*1-2H3/b12-5+;;.
What are the key properties of ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine?
ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine has a molecular weight of 256.48 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(E)-3-ethylpent-3-en-2-yl]-4-methylpiperazine is sourced from PubChem (CID 142028302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).