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

C25H59N3O8 — CID 145396352

IUPAC(Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
SMILESCC.CC.CC.CCOCCOCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C19H41N3O8.3C2H6/c1-2-24-5-6-26-9-10-28-13-14-30-16-15-29-12-11-27-8-7-25-4-3-22(21)17-19(20)18-23;3*1-2/h17,23H,2-16,18,20-21H2,1H3;3*1-2H3/b19-17-;;;
InChIKeyUYYDXDOMAOBXBW-SHFIFAJNSA-N
MW529.76 g/mol
LogP2.17
Rot. Bonds24

About (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane (PubChem CID 145396352) has the molecular formula C25H59N3O8 and a molecular weight of 529.76 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
PubChem CID145396352
Molecular FormulaC25H59N3O8
Molecular Weight529.76 g/mol
Exact Mass529.43
IUPAC Name(Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
SMILESCC.CC.CC.CCOCCOCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C19H41N3O8.3C2H6/c1-2-24-5-6-26-9-10-28-13-14-30-16-15-29-12-11-27-8-7-25-4-3-22(21)17-19(20)18-23;3*1-2/h17,23H,2-16,18,20-21H2,1H3;3*1-2H3/b19-17-;;;
InChIKeyUYYDXDOMAOBXBW-SHFIFAJNSA-N
XLogP2.17
TPSA140.12 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.76
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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'}

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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-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane (CID 145396352) is (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane is CC.CC.CC.CCOCCOCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO.
What is the InChIKey of (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane?
The InChIKey is UYYDXDOMAOBXBW-SHFIFAJNSA-N. The full InChI is InChI=1S/C19H41N3O8.3C2H6/c1-2-24-5-6-26-9-10-28-13-14-30-16-15-29-12-11-27-8-7-25-4-3-22(21)17-19(20)18-23;3*1-2/h17,23H,2-16,18,20-21H2,1H3;3*1-2H3/b19-17-;;;.
What are the key properties of (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane has a molecular weight of 529.76 g/mol, XLogP of 2.17, 24 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane is sourced from PubChem (CID 145396352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).