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

C15H33N3O6 — CID 145396355

IUPAC(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol
SMILESCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C15H33N3O6/c1-2-20-5-6-22-9-10-24-12-11-23-8-7-21-4-3-18(17)13-15(16)14-19/h13,19H,2-12,14,16-17H2,1H3/b15-13-
InChIKeyZSEKAHWILXTAHV-SQFISAMPSA-N
MW351.44 g/mol
LogP-0.94
Rot. Bonds18

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

(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol (PubChem CID 145396355) has the molecular formula C15H33N3O6 and a molecular weight of 351.44 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol
PubChem CID145396355
Molecular FormulaC15H33N3O6
Molecular Weight351.44 g/mol
Exact Mass351.24
IUPAC Name(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol
SMILESCCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C15H33N3O6/c1-2-20-5-6-22-9-10-24-12-11-23-8-7-21-4-3-18(17)13-15(16)14-19/h13,19H,2-12,14,16-17H2,1H3/b15-13-
InChIKeyZSEKAHWILXTAHV-SQFISAMPSA-N
XLogP-0.94
TPSA121.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol?
The IUPAC name of (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol (CID 145396355) is (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol.
What is the SMILES notation for (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol?
The canonical SMILES for (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol is CCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO.
What is the InChIKey of (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol?
The InChIKey is ZSEKAHWILXTAHV-SQFISAMPSA-N. The full InChI is InChI=1S/C15H33N3O6/c1-2-20-5-6-22-9-10-24-12-11-23-8-7-21-4-3-18(17)13-15(16)14-19/h13,19H,2-12,14,16-17H2,1H3/b15-13-.
What are the key properties of (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol?
(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol has a molecular weight of 351.44 g/mol, XLogP of -0.94, 18 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol is sourced from PubChem (CID 145396355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).