ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde

C13H28N2O2 — CID 143513109

IUPACethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde
SMILESC=C.COCC(C)(C)C.O=CN1CCNCC1
InChIInChI=1S/C6H14O.C5H10N2O.C2H4/c1-6(2,3)5-7-4;8-5-7-3-1-6-2-4-7;1-2/h5H2,1-4H3;5-6H,1-4H2;1-2H2
InChIKeyHZYMNQLXHYBJJB-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.53
Rot. Bonds2

About ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde

ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde (PubChem CID 143513109) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde.

Molecular Properties

Compound Nameethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde
PubChem CID143513109
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Nameethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde
SMILESC=C.COCC(C)(C)C.O=CN1CCNCC1
InChIInChI=1S/C6H14O.C5H10N2O.C2H4/c1-6(2,3)5-7-4;8-5-7-3-1-6-2-4-7;1-2/h5H2,1-4H3;5-6H,1-4H2;1-2H2
InChIKeyHZYMNQLXHYBJJB-UHFFFAOYSA-N
XLogP1.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde?
The IUPAC name of ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde (CID 143513109) is ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde.
What is the SMILES notation for ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde?
The canonical SMILES for ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde is C=C.COCC(C)(C)C.O=CN1CCNCC1.
What is the InChIKey of ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde?
The InChIKey is HZYMNQLXHYBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C5H10N2O.C2H4/c1-6(2,3)5-7-4;8-5-7-3-1-6-2-4-7;1-2/h5H2,1-4H3;5-6H,1-4H2;1-2H2.
What are the key properties of ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde?
ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde has a molecular weight of 244.38 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-methoxy-2,2-dimethylpropane;piperazine-1-carbaldehyde is sourced from PubChem (CID 143513109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).