ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen

C11H27NO2 — CID 153398553

IUPACethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen
SMILESCC.CCOC/C=C\COCCNC.[H][H]
InChIInChI=1S/C9H19NO2.C2H6.H2/c1-3-11-7-4-5-8-12-9-6-10-2;1-2;/h4-5,10H,3,6-9H2,1-2H3;1-2H3;1H/b5-4-;;
InChIKeyXRCOYPQWRJYPHD-WNCVTPEDSA-N
MW205.34 g/mol
LogP2.09
Rot. Bonds8

About ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen

ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen (PubChem CID 153398553) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen
PubChem CID153398553
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Nameethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen
SMILESCC.CCOC/C=C\COCCNC.[H][H]
InChIInChI=1S/C9H19NO2.C2H6.H2/c1-3-11-7-4-5-8-12-9-6-10-2;1-2;/h4-5,10H,3,6-9H2,1-2H3;1-2H3;1H/b5-4-;;
InChIKeyXRCOYPQWRJYPHD-WNCVTPEDSA-N
XLogP2.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen?
The IUPAC name of ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen (CID 153398553) is ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen.
What is the SMILES notation for ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen?
The canonical SMILES for ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen is CC.CCOC/C=C\COCCNC.[H][H].
What is the InChIKey of ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen?
The InChIKey is XRCOYPQWRJYPHD-WNCVTPEDSA-N. The full InChI is InChI=1S/C9H19NO2.C2H6.H2/c1-3-11-7-4-5-8-12-9-6-10-2;1-2;/h4-5,10H,3,6-9H2,1-2H3;1-2H3;1H/b5-4-;;.
What are the key properties of ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen?
ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen has a molecular weight of 205.34 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(Z)-4-ethoxybut-2-enoxy]-N-methylethanamine;molecular hydrogen is sourced from PubChem (CID 153398553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).