1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine

C18H34N2 — CID 167073389

IUPAC1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine
SMILESC=C(C)C(C)CN1CCN(CC(C)C(=C)CCC)CC1
InChIInChI=1S/C18H34N2/c1-7-8-16(4)18(6)14-20-11-9-19(10-12-20)13-17(5)15(2)3/h17-18H,2,4,7-14H2,1,3,5-6H3
InChIKeyVWKAFRWBLYHJNF-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds8

About 1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine

1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine (PubChem CID 167073389) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine
PubChem CID167073389
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine
SMILESC=C(C)C(C)CN1CCN(CC(C)C(=C)CCC)CC1
InChIInChI=1S/C18H34N2/c1-7-8-16(4)18(6)14-20-11-9-19(10-12-20)13-17(5)15(2)3/h17-18H,2,4,7-14H2,1,3,5-6H3
InChIKeyVWKAFRWBLYHJNF-UHFFFAOYSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
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

4-(aziridin-1-yl)-3-methylbutan-2-one
CID 45085269
2,3,4-trimethyl-5-methylideneoct-1-ene
CID 91393907
ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate
CID 140660680
(2R)-2-methyl-3-(4-methylpiperazin-1-yl)propanoic acid
CID 51704160
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
2,3-dimethylpent-1-ene;ethane
CID 143286891
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
butyl 2-methyl-3-pyrrolidin-1-ylpropanoate
CID 139756168
2-methyl-3-(4-propan-2-ylpiperazin-1-yl)propanethioamide
CID 43585286
2-methyl-3-(4-propylpiperazin-1-yl)propanimidamide
CID 43175069
2-acetamido-3-(4-propylpiperazin-1-yl)propanoic acid
CID 64581512
1-[4-(2-methylpropyl)piperazin-1-yl]butan-1-imine
CID 63173686

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine?
The IUPAC name of 1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine (CID 167073389) is 1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine.
What is the SMILES notation for 1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine?
The canonical SMILES for 1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine is C=C(C)C(C)CN1CCN(CC(C)C(=C)CCC)CC1.
What is the InChIKey of 1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine?
The InChIKey is VWKAFRWBLYHJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-7-8-16(4)18(6)14-20-11-9-19(10-12-20)13-17(5)15(2)3/h17-18H,2,4,7-14H2,1,3,5-6H3.
What are the key properties of 1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine?
1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine has a molecular weight of 278.48 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine is sourced from PubChem (CID 167073389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).