5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine

C13H28N2 — CID 64839314

IUPAC5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine
SMILESCC(C)CC1CNC(C)(C)CN1C(C)C
InChIInChI=1S/C13H28N2/c1-10(2)7-12-8-14-13(5,6)9-15(12)11(3)4/h10-12,14H,7-9H2,1-6H3
InChIKeyTWTUHROCMNBEGA-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.49
Rot. Bonds3

About 5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine

5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine (PubChem CID 64839314) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine
PubChem CID64839314
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine
SMILESCC(C)CC1CNC(C)(C)CN1C(C)C
InChIInChI=1S/C13H28N2/c1-10(2)7-12-8-14-13(5,6)9-15(12)11(3)4/h10-12,14H,7-9H2,1-6H3
InChIKeyTWTUHROCMNBEGA-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine?
The IUPAC name of 5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine (CID 64839314) is 5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine?
The canonical SMILES for 5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine is CC(C)CC1CNC(C)(C)CN1C(C)C.
What is the InChIKey of 5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine?
The InChIKey is TWTUHROCMNBEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)7-12-8-14-13(5,6)9-15(12)11(3)4/h10-12,14H,7-9H2,1-6H3.
What are the key properties of 5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine?
5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine has a molecular weight of 212.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-methylpropyl)-1-propan-2-ylpiperazine is sourced from PubChem (CID 64839314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).