3-(3,3-dimethylbutyl)-1-methylpiperazine

C11H24N2 — CID 116928268

IUPAC3-(3,3-dimethylbutyl)-1-methylpiperazine
SMILESCN1CCNC(CCC(C)(C)C)C1
InChIInChI=1S/C11H24N2/c1-11(2,3)6-5-10-9-13(4)8-7-12-10/h10,12H,5-9H2,1-4H3
InChIKeyUAHCBZDKIFECCV-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.72
Rot. Bonds2

About 3-(3,3-dimethylbutyl)-1-methylpiperazine

3-(3,3-dimethylbutyl)-1-methylpiperazine (PubChem CID 116928268) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-1-methylpiperazine.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-1-methylpiperazine
PubChem CID116928268
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name3-(3,3-dimethylbutyl)-1-methylpiperazine
SMILESCN1CCNC(CCC(C)(C)C)C1
InChIInChI=1S/C11H24N2/c1-11(2,3)6-5-10-9-13(4)8-7-12-10/h10,12H,5-9H2,1-4H3
InChIKeyUAHCBZDKIFECCV-UHFFFAOYSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutyl)-1-methylpiperazine?
The IUPAC name of 3-(3,3-dimethylbutyl)-1-methylpiperazine (CID 116928268) is 3-(3,3-dimethylbutyl)-1-methylpiperazine.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-1-methylpiperazine?
The canonical SMILES for 3-(3,3-dimethylbutyl)-1-methylpiperazine is CN1CCNC(CCC(C)(C)C)C1.
What is the InChIKey of 3-(3,3-dimethylbutyl)-1-methylpiperazine?
The InChIKey is UAHCBZDKIFECCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-11(2,3)6-5-10-9-13(4)8-7-12-10/h10,12H,5-9H2,1-4H3.
What are the key properties of 3-(3,3-dimethylbutyl)-1-methylpiperazine?
3-(3,3-dimethylbutyl)-1-methylpiperazine has a molecular weight of 184.33 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-1-methylpiperazine is sourced from PubChem (CID 116928268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).