ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane

C17H37NO — CID 143588837

IUPACethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane
SMILESC=C/C=C\C=C/C.CC.CCC.CCOCCNC
InChIInChI=1S/C7H10.C5H13NO.C3H8.C2H6/c1-3-5-7-6-4-2;1-3-7-5-4-6-2;1-3-2;1-2/h3-7H,1H2,2H3;6H,3-5H2,1-2H3;3H2,1-2H3;1-2H3/b6-4-,7-5-;;;
InChIKeyFCOLEQFLHIPJNT-AANDKTPFSA-N
MW271.49 g/mol
LogP4.99
Rot. Bonds6

About ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane

ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane (PubChem CID 143588837) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane.

Molecular Properties

Compound Nameethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane
PubChem CID143588837
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Nameethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane
SMILESC=C/C=C\C=C/C.CC.CCC.CCOCCNC
InChIInChI=1S/C7H10.C5H13NO.C3H8.C2H6/c1-3-5-7-6-4-2;1-3-7-5-4-6-2;1-3-2;1-2/h3-7H,1H2,2H3;6H,3-5H2,1-2H3;3H2,1-2H3;1-2H3/b6-4-,7-5-;;;
InChIKeyFCOLEQFLHIPJNT-AANDKTPFSA-N
XLogP4.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane?
The IUPAC name of ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane (CID 143588837) is ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane.
What is the SMILES notation for ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane?
The canonical SMILES for ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane is C=C/C=C\C=C/C.CC.CCC.CCOCCNC.
What is the InChIKey of ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane?
The InChIKey is FCOLEQFLHIPJNT-AANDKTPFSA-N. The full InChI is InChI=1S/C7H10.C5H13NO.C3H8.C2H6/c1-3-5-7-6-4-2;1-3-7-5-4-6-2;1-3-2;1-2/h3-7H,1H2,2H3;6H,3-5H2,1-2H3;3H2,1-2H3;1-2H3/b6-4-,7-5-;;;.
What are the key properties of ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane?
ethane;2-ethoxy-N-methylethanamine;(3Z,5Z)-hepta-1,3,5-triene;propane has a molecular weight of 271.49 g/mol, XLogP of 4.99, 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;(3Z,5Z)-hepta-1,3,5-triene;propane is sourced from PubChem (CID 143588837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).