2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine

C11H20N2 — CID 64937731

IUPAC2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(C(C)C)NCC1C
InChIInChI=1S/C11H20N2/c1-5-6-13-8-11(9(2)3)12-7-10(13)4/h1,9-12H,6-8H2,2-4H3
InChIKeyZAMYBWGKCIZEFW-UHFFFAOYSA-N
MW180.29 g/mol
LogP0.94
Rot. Bonds2

About 2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine

2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine (PubChem CID 64937731) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine
PubChem CID64937731
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine
SMILESC#CCN1CC(C(C)C)NCC1C
InChIInChI=1S/C11H20N2/c1-5-6-13-8-11(9(2)3)12-7-10(13)4/h1,9-12H,6-8H2,2-4H3
InChIKeyZAMYBWGKCIZEFW-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine?
The IUPAC name of 2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine (CID 64937731) is 2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine?
The canonical SMILES for 2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine is C#CCN1CC(C(C)C)NCC1C.
What is the InChIKey of 2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine?
The InChIKey is ZAMYBWGKCIZEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-6-13-8-11(9(2)3)12-7-10(13)4/h1,9-12H,6-8H2,2-4H3.
What are the key properties of 2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine?
2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine has a molecular weight of 180.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine is sourced from PubChem (CID 64937731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).