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

C36H79N3O14 — CID 145396404

IUPAC(Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
SMILESCC.CC.CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C32H67N3O14.2C2H6/c1-2-4-37-6-8-39-10-12-41-14-16-43-18-20-45-22-24-47-26-28-49-29-27-48-25-23-46-21-19-44-17-15-42-13-11-40-9-7-38-5-3-35(34)30-32(33)31-36;2*1-2/h30,36H,2-29,31,33-34H2,1H3;2*1-2H3/b32-30-;;
InChIKeyYZGICVNHRJCGBQ-QQNRCNHKSA-N
MW778.03 g/mol
LogP1.63
Rot. Bonds43

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

(Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane (PubChem CID 145396404) has the molecular formula C36H79N3O14 and a molecular weight of 778.03 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane.

Molecular Properties

Compound Name(Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
PubChem CID145396404
Molecular FormulaC36H79N3O14
Molecular Weight778.03 g/mol
Exact Mass777.56
IUPAC Name(Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
SMILESCC.CC.CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C32H67N3O14.2C2H6/c1-2-4-37-6-8-39-10-12-41-14-16-43-18-20-45-22-24-47-26-28-49-29-27-48-25-23-46-21-19-44-17-15-42-13-11-40-9-7-38-5-3-35(34)30-32(33)31-36;2*1-2/h30,36H,2-29,31,33-34H2,1H3;2*1-2H3/b32-30-;;
InChIKeyYZGICVNHRJCGBQ-QQNRCNHKSA-N
XLogP1.63
TPSA195.50 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds43
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.03
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]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-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane?
The IUPAC name of (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane (CID 145396404) is (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane.
What is the SMILES notation for (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane?
The canonical SMILES for (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane is CC.CC.CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO.
What is the InChIKey of (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane?
The InChIKey is YZGICVNHRJCGBQ-QQNRCNHKSA-N. The full InChI is InChI=1S/C32H67N3O14.2C2H6/c1-2-4-37-6-8-39-10-12-41-14-16-43-18-20-45-22-24-47-26-28-49-29-27-48-25-23-46-21-19-44-17-15-42-13-11-40-9-7-38-5-3-35(34)30-32(33)31-36;2*1-2/h30,36H,2-29,31,33-34H2,1H3;2*1-2H3/b32-30-;;.
What are the key properties of (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane?
(Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane has a molecular weight of 778.03 g/mol, XLogP of 1.63, 43 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane is sourced from PubChem (CID 145396404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).