(Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane

C38H82N2O14 — CID 145396422

IUPAC(Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane
SMILESCC.CC.CC(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN/C=C(\N)CO
InChIInChI=1S/C34H70N2O14.2C2H6/c1-33(2)3-5-38-7-9-40-11-13-42-15-17-44-19-21-46-23-25-48-27-29-50-30-28-49-26-24-47-22-20-45-18-16-43-14-12-41-10-8-39-6-4-36-31-34(35)32-37;2*1-2/h31,33,36-37H,3-30,32,35H2,1-2H3;2*1-2H3/b34-31-;;
InChIKeyZDZHBFIOUDQDRR-LJMPBULLSA-N
MW791.07 g/mol
LogP2.68
Rot. Bonds44

About (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane

(Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane (PubChem CID 145396422) has the molecular formula C38H82N2O14 and a molecular weight of 791.07 g/mol. Its IUPAC name is (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane.

Molecular Properties

Compound Name(Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane
PubChem CID145396422
Molecular FormulaC38H82N2O14
Molecular Weight791.07 g/mol
Exact Mass790.58
IUPAC Name(Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane
SMILESCC.CC.CC(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN/C=C(\N)CO
InChIInChI=1S/C34H70N2O14.2C2H6/c1-33(2)3-5-38-7-9-40-11-13-42-15-17-44-19-21-46-23-25-48-27-29-50-30-28-49-26-24-47-22-20-45-18-16-43-14-12-41-10-8-39-6-4-36-31-34(35)32-37;2*1-2/h31,33,36-37H,3-30,32,35H2,1-2H3;2*1-2H3/b34-31-;;
InChIKeyZDZHBFIOUDQDRR-LJMPBULLSA-N
XLogP2.68
TPSA178.27 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds44
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.07
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane?
The IUPAC name of (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane (CID 145396422) is (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane.
What is the SMILES notation for (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane?
The canonical SMILES for (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane is CC.CC.CC(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN/C=C(\N)CO.
What is the InChIKey of (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane?
The InChIKey is ZDZHBFIOUDQDRR-LJMPBULLSA-N. The full InChI is InChI=1S/C34H70N2O14.2C2H6/c1-33(2)3-5-38-7-9-40-11-13-42-15-17-44-19-21-46-23-25-48-27-29-50-30-28-49-26-24-47-22-20-45-18-16-43-14-12-41-10-8-39-6-4-36-31-34(35)32-37;2*1-2/h31,33,36-37H,3-30,32,35H2,1-2H3;2*1-2H3/b34-31-;;.
What are the key properties of (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane?
(Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane has a molecular weight of 791.07 g/mol, XLogP of 2.68, 44 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane is sourced from PubChem (CID 145396422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).