2,2-dimethyl-5-prop-2-enylpiperazine

C9H18N2 — CID 67898833

IUPAC2,2-dimethyl-5-prop-2-enylpiperazine
SMILESC=CCC1CNC(C)(C)CN1
InChIInChI=1S/C9H18N2/c1-4-5-8-6-11-9(2,3)7-10-8/h4,8,10-11H,1,5-7H2,2-3H3
InChIKeyXSJBKHMZYZECOC-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.90
Rot. Bonds2

About 2,2-dimethyl-5-prop-2-enylpiperazine

2,2-dimethyl-5-prop-2-enylpiperazine (PubChem CID 67898833) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2,2-dimethyl-5-prop-2-enylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-5-prop-2-enylpiperazine
PubChem CID67898833
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2,2-dimethyl-5-prop-2-enylpiperazine
SMILESC=CCC1CNC(C)(C)CN1
InChIInChI=1S/C9H18N2/c1-4-5-8-6-11-9(2,3)7-10-8/h4,8,10-11H,1,5-7H2,2-3H3
InChIKeyXSJBKHMZYZECOC-UHFFFAOYSA-N
XLogP0.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-prop-2-enylpiperazine?
The IUPAC name of 2,2-dimethyl-5-prop-2-enylpiperazine (CID 67898833) is 2,2-dimethyl-5-prop-2-enylpiperazine.
What is the SMILES notation for 2,2-dimethyl-5-prop-2-enylpiperazine?
The canonical SMILES for 2,2-dimethyl-5-prop-2-enylpiperazine is C=CCC1CNC(C)(C)CN1.
What is the InChIKey of 2,2-dimethyl-5-prop-2-enylpiperazine?
The InChIKey is XSJBKHMZYZECOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-8-6-11-9(2,3)7-10-8/h4,8,10-11H,1,5-7H2,2-3H3.
What are the key properties of 2,2-dimethyl-5-prop-2-enylpiperazine?
2,2-dimethyl-5-prop-2-enylpiperazine has a molecular weight of 154.26 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-prop-2-enylpiperazine is sourced from PubChem (CID 67898833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).