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

C31H69N3O12 — CID 145396383

IUPAC(Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
SMILESCC.CC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C27H57N3O12.2C2H6/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-30(29)25-27(28)26-31;2*1-2/h25,31H,2-24,26,28-29H2,1H3;2*1-2H3/b27-25-;;
InChIKeyVKJHXQODEUXSQR-XONOVKDISA-N
MW675.90 g/mol
LogP1.21
Rot. Bonds36

About (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane (PubChem CID 145396383) has the molecular formula C31H69N3O12 and a molecular weight of 675.90 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
PubChem CID145396383
Molecular FormulaC31H69N3O12
Molecular Weight675.90 g/mol
Exact Mass675.49
IUPAC Name(Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
SMILESCC.CC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C27H57N3O12.2C2H6/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-30(29)25-27(28)26-31;2*1-2/h25,31H,2-24,26,28-29H2,1H3;2*1-2H3/b27-25-;;
InChIKeyVKJHXQODEUXSQR-XONOVKDISA-N
XLogP1.21
TPSA177.04 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.90
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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-ethoxyethoxy)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-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane (CID 145396383) is (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane is CC.CC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN(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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane?
The InChIKey is VKJHXQODEUXSQR-XONOVKDISA-N. The full InChI is InChI=1S/C27H57N3O12.2C2H6/c1-2-32-5-6-34-9-10-36-13-14-38-17-18-40-21-22-42-24-23-41-20-19-39-16-15-37-12-11-35-8-7-33-4-3-30(29)25-27(28)26-31;2*1-2/h25,31H,2-24,26,28-29H2,1H3;2*1-2H3/b27-25-;;.
What are the key properties of (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane has a molecular weight of 675.90 g/mol, XLogP of 1.21, 36 rotatable bonds, 3 hydrogen bond donors, and 15 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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane is sourced from PubChem (CID 145396383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).