ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine

C12H26N2 — CID 156708089

IUPACethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine
SMILESC=C(C(C)C)N1CCN(C)CC1.CC
InChIInChI=1S/C10H20N2.C2H6/c1-9(2)10(3)12-7-5-11(4)6-8-12;1-2/h9H,3,5-8H2,1-2,4H3;1-2H3
InChIKeyGKAWIINABKABAS-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.43
Rot. Bonds2

About ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine

ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine (PubChem CID 156708089) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine
PubChem CID156708089
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nameethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine
SMILESC=C(C(C)C)N1CCN(C)CC1.CC
InChIInChI=1S/C10H20N2.C2H6/c1-9(2)10(3)12-7-5-11(4)6-8-12;1-2/h9H,3,5-8H2,1-2,4H3;1-2H3
InChIKeyGKAWIINABKABAS-UHFFFAOYSA-N
XLogP2.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine?
The IUPAC name of ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine (CID 156708089) is ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine.
What is the SMILES notation for ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine?
The canonical SMILES for ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine is C=C(C(C)C)N1CCN(C)CC1.CC.
What is the InChIKey of ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine?
The InChIKey is GKAWIINABKABAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C2H6/c1-9(2)10(3)12-7-5-11(4)6-8-12;1-2/h9H,3,5-8H2,1-2,4H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine?
ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine has a molecular weight of 198.35 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(3-methylbut-1-en-2-yl)piperazine is sourced from PubChem (CID 156708089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).