1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane

C16H30N2 — CID 177053447

IUPAC1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane
SMILESC=C(C)/C(=C\C=C(C)C)N1CCN(C)CC1.CC
InChIInChI=1S/C14H24N2.C2H6/c1-12(2)6-7-14(13(3)4)16-10-8-15(5)9-11-16;1-2/h6-7H,3,8-11H2,1-2,4-5H3;1-2H3/b14-7+;
InChIKeyWDGJBIWZPLOCLQ-FJUODKGNSA-N
MW250.43 g/mol
LogP3.69
Rot. Bonds3

About 1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane

1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane (PubChem CID 177053447) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane.

Molecular Properties

Compound Name1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane
PubChem CID177053447
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane
SMILESC=C(C)/C(=C\C=C(C)C)N1CCN(C)CC1.CC
InChIInChI=1S/C14H24N2.C2H6/c1-12(2)6-7-14(13(3)4)16-10-8-15(5)9-11-16;1-2/h6-7H,3,8-11H2,1-2,4-5H3;1-2H3/b14-7+;
InChIKeyWDGJBIWZPLOCLQ-FJUODKGNSA-N
XLogP3.69
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylpiperazin-1-yl)ethanone
CID 550758
formaldehyde;methane;1-(4-methylpiperazin-1-yl)ethanone
CID 143691065
ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 142979179
(3Z)-3-[1-(4-methylpiperazin-1-yl)ethenylimino]prop-1-en-2-amine
CID 145468380
1,4-dimethylpiperazine;ethane
CID 91292414
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
N-methylmethanamine;1-(4-methylpiperazin-1-yl)ethanone
CID 160870034
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142829570
1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one
CID 70520596
4-methylpiperazine-1-carboxylic acid;hydrochloride
CID 70630580
ethane;1-methyl-4-(1-prop-1-en-2-ylazetidin-3-yl)piperazine
CID 142368232
1-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one
CID 130117794

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane?
The IUPAC name of 1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane (CID 177053447) is 1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane.
What is the SMILES notation for 1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane?
The canonical SMILES for 1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane is C=C(C)/C(=C\C=C(C)C)N1CCN(C)CC1.CC.
What is the InChIKey of 1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane?
The InChIKey is WDGJBIWZPLOCLQ-FJUODKGNSA-N. The full InChI is InChI=1S/C14H24N2.C2H6/c1-12(2)6-7-14(13(3)4)16-10-8-15(5)9-11-16;1-2/h6-7H,3,8-11H2,1-2,4-5H3;1-2H3/b14-7+;.
What are the key properties of 1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane?
1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane has a molecular weight of 250.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-4-methylpiperazine;ethane is sourced from PubChem (CID 177053447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).