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

C27H60N2O10 — CID 145396386

IUPAC(Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane
SMILESCC.CC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN/C=C(\N)CO
InChIInChI=1S/C23H48N2O10.2C2H6/c1-2-27-5-6-29-9-10-31-13-14-33-17-18-35-20-19-34-16-15-32-12-11-30-8-7-28-4-3-25-21-23(24)22-26;2*1-2/h21,25-26H,2-20,22,24H2,1H3;2*1-2H3/b23-21-;;
InChIKeyGKDKMBFXCFSURX-MXOKZSFASA-N
MW572.78 g/mol
LogP1.59
Rot. Bonds30

About (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane (PubChem CID 145396386) has the molecular formula C27H60N2O10 and a molecular weight of 572.78 g/mol. Its IUPAC name is (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane
PubChem CID145396386
Molecular FormulaC27H60N2O10
Molecular Weight572.78 g/mol
Exact Mass572.42
IUPAC Name(Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane
SMILESCC.CC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN/C=C(\N)CO
InChIInChI=1S/C23H48N2O10.2C2H6/c1-2-27-5-6-29-9-10-31-13-14-33-17-18-35-20-19-34-16-15-32-12-11-30-8-7-28-4-3-25-21-23(24)22-26;2*1-2/h21,25-26H,2-20,22,24H2,1H3;2*1-2H3/b23-21-;;
InChIKeyGKDKMBFXCFSURX-MXOKZSFASA-N
XLogP1.59
TPSA141.35 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.78
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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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-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane (CID 145396386) is (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane is CC.CC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCN/C=C(\N)CO.
What is the InChIKey of (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane?
The InChIKey is GKDKMBFXCFSURX-MXOKZSFASA-N. The full InChI is InChI=1S/C23H48N2O10.2C2H6/c1-2-27-5-6-29-9-10-31-13-14-33-17-18-35-20-19-34-16-15-32-12-11-30-8-7-28-4-3-25-21-23(24)22-26;2*1-2/h21,25-26H,2-20,22,24H2,1H3;2*1-2H3/b23-21-;;.
What are the key properties of (Z)-2-amino-3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane has a molecular weight of 572.78 g/mol, XLogP of 1.59, 30 rotatable bonds, 3 hydrogen bond donors, and 12 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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane is sourced from PubChem (CID 145396386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).