ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol

C15H31NO2 — CID 143615644

IUPACethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol
SMILESCC/C=C\C(=C/CC)[C@@H](O)CCNCC.CCO
InChIInChI=1S/C13H25NO.C2H6O/c1-4-7-9-12(8-5-2)13(15)10-11-14-6-3;1-2-3/h7-9,13-15H,4-6,10-11H2,1-3H3;3H,2H2,1H3/b9-7-,12-8+;/t13-;/m0./s1
InChIKeySLQIQBCBAHFHFL-FMJCUNFYSA-N
MW257.42 g/mol
LogP2.65
Rot. Bonds8

About ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol

ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol (PubChem CID 143615644) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol.

Molecular Properties

Compound Nameethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol
PubChem CID143615644
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Nameethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol
SMILESCC/C=C\C(=C/CC)[C@@H](O)CCNCC.CCO
InChIInChI=1S/C13H25NO.C2H6O/c1-4-7-9-12(8-5-2)13(15)10-11-14-6-3;1-2-3/h7-9,13-15H,4-6,10-11H2,1-3H3;3H,2H2,1H3/b9-7-,12-8+;/t13-;/m0./s1
InChIKeySLQIQBCBAHFHFL-FMJCUNFYSA-N
XLogP2.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol?
The IUPAC name of ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol (CID 143615644) is ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol.
What is the SMILES notation for ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol?
The canonical SMILES for ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol is CC/C=C\C(=C/CC)[C@@H](O)CCNCC.CCO.
What is the InChIKey of ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol?
The InChIKey is SLQIQBCBAHFHFL-FMJCUNFYSA-N. The full InChI is InChI=1S/C13H25NO.C2H6O/c1-4-7-9-12(8-5-2)13(15)10-11-14-6-3;1-2-3/h7-9,13-15H,4-6,10-11H2,1-3H3;3H,2H2,1H3/b9-7-,12-8+;/t13-;/m0./s1.
What are the key properties of ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol?
ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol has a molecular weight of 257.42 g/mol, XLogP of 2.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(Z,3S,4E)-1-(ethylamino)-4-propylideneoct-5-en-3-ol is sourced from PubChem (CID 143615644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).