ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine

C13H28N2 — CID 168925785

IUPACethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CC(C)C)CC1.CC
InChIInChI=1S/C11H22N2.C2H6/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-2/h10H,3,5-9H2,1-2,4H3;1-2H3
InChIKeyWAZTTYJGJNPTEM-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.82
Rot. Bonds3

About ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine

ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine (PubChem CID 168925785) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine.

Molecular Properties

Compound Nameethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine
PubChem CID168925785
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Nameethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine
SMILESC=C(C)N1CCN(CC(C)C)CC1.CC
InChIInChI=1S/C11H22N2.C2H6/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-2/h10H,3,5-9H2,1-2,4H3;1-2H3
InChIKeyWAZTTYJGJNPTEM-UHFFFAOYSA-N
XLogP2.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine?
The IUPAC name of ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine (CID 168925785) is ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine.
What is the SMILES notation for ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine?
The canonical SMILES for ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine is C=C(C)N1CCN(CC(C)C)CC1.CC.
What is the InChIKey of ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine?
The InChIKey is WAZTTYJGJNPTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C2H6/c1-10(2)9-12-5-7-13(8-6-12)11(3)4;1-2/h10H,3,5-9H2,1-2,4H3;1-2H3.
What are the key properties of ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine?
ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine has a molecular weight of 212.38 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylpropyl)-4-prop-1-en-2-ylpiperazine is sourced from PubChem (CID 168925785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).