2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine

C14H30N2 — CID 142057456

IUPAC2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine
SMILESC=CN1CCN(CC)CC1.CCC(C)(C)C
InChIInChI=1S/C8H16N2.C6H14/c1-3-9-5-7-10(4-2)8-6-9;1-5-6(2,3)4/h3H,1,4-8H2,2H3;5H2,1-4H3
InChIKeyBVLGHALKLMTATM-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.21
Rot. Bonds2

About 2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine

2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine (PubChem CID 142057456) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine.

Molecular Properties

Compound Name2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine
PubChem CID142057456
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine
SMILESC=CN1CCN(CC)CC1.CCC(C)(C)C
InChIInChI=1S/C8H16N2.C6H14/c1-3-9-5-7-10(4-2)8-6-9;1-5-6(2,3)4/h3H,1,4-8H2,2H3;5H2,1-4H3
InChIKeyBVLGHALKLMTATM-UHFFFAOYSA-N
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine?
The IUPAC name of 2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine (CID 142057456) is 2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine.
What is the SMILES notation for 2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine?
The canonical SMILES for 2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine is C=CN1CCN(CC)CC1.CCC(C)(C)C.
What is the InChIKey of 2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine?
The InChIKey is BVLGHALKLMTATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C6H14/c1-3-9-5-7-10(4-2)8-6-9;1-5-6(2,3)4/h3H,1,4-8H2,2H3;5H2,1-4H3.
What are the key properties of 2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine?
2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine has a molecular weight of 226.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutane;1-ethenyl-4-ethylpiperazine is sourced from PubChem (CID 142057456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).