ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol

C15H29NO — CID 143063184

IUPACethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol
SMILESC=C/C(=C\C=C/C)CCN(CC)CCO.CC
InChIInChI=1S/C13H23NO.C2H6/c1-4-7-8-13(5-2)9-10-14(6-3)11-12-15;1-2/h4-5,7-8,15H,2,6,9-12H2,1,3H3;1-2H3/b7-4-,13-8+;
InChIKeyBFWDGKICYHZVIC-QWIRWIDKSA-N
MW239.40 g/mol
LogP3.41
Rot. Bonds8

About ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol

ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol (PubChem CID 143063184) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol.

Molecular Properties

Compound Nameethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol
PubChem CID143063184
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Nameethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol
SMILESC=C/C(=C\C=C/C)CCN(CC)CCO.CC
InChIInChI=1S/C13H23NO.C2H6/c1-4-7-8-13(5-2)9-10-14(6-3)11-12-15;1-2/h4-5,7-8,15H,2,6,9-12H2,1,3H3;1-2H3/b7-4-,13-8+;
InChIKeyBFWDGKICYHZVIC-QWIRWIDKSA-N
XLogP3.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol?
The IUPAC name of ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol (CID 143063184) is ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol.
What is the SMILES notation for ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol?
The canonical SMILES for ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol is C=C/C(=C\C=C/C)CCN(CC)CCO.CC.
What is the InChIKey of ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol?
The InChIKey is BFWDGKICYHZVIC-QWIRWIDKSA-N. The full InChI is InChI=1S/C13H23NO.C2H6/c1-4-7-8-13(5-2)9-10-14(6-3)11-12-15;1-2/h4-5,7-8,15H,2,6,9-12H2,1,3H3;1-2H3/b7-4-,13-8+;.
What are the key properties of ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol?
ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol has a molecular weight of 239.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol is sourced from PubChem (CID 143063184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).