ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene

C15H33NO — CID 143227142

IUPACethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene
SMILESC=CC.C=CCC=C.CC.CCOCCNC
InChIInChI=1S/C5H13NO.C5H8.C3H6.C2H6/c1-3-7-5-4-6-2;1-3-5-4-2;1-3-2;1-2/h6H,3-5H2,1-2H3;3-4H,1-2,5H2;3H,1H2,2H3;1-2H3
InChIKeyJGPQIPXIUOLPLJ-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.21
Rot. Bonds6

About ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene

ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene (PubChem CID 143227142) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene.

Molecular Properties

Compound Nameethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene
PubChem CID143227142
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Nameethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene
SMILESC=CC.C=CCC=C.CC.CCOCCNC
InChIInChI=1S/C5H13NO.C5H8.C3H6.C2H6/c1-3-7-5-4-6-2;1-3-5-4-2;1-3-2;1-2/h6H,3-5H2,1-2H3;3-4H,1-2,5H2;3H,1H2,2H3;1-2H3
InChIKeyJGPQIPXIUOLPLJ-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene?
The IUPAC name of ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene (CID 143227142) is ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene.
What is the SMILES notation for ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene?
The canonical SMILES for ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene is C=CC.C=CCC=C.CC.CCOCCNC.
What is the InChIKey of ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene?
The InChIKey is JGPQIPXIUOLPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C5H8.C3H6.C2H6/c1-3-7-5-4-6-2;1-3-5-4-2;1-3-2;1-2/h6H,3-5H2,1-2H3;3-4H,1-2,5H2;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene?
ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene has a molecular weight of 243.43 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-N-methylethanamine;penta-1,4-diene;prop-1-ene is sourced from PubChem (CID 143227142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).