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

C15H37N3O4 — CID 145396356

IUPAC(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
SMILESCC.CC.CCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C11H25N3O4.2C2H6/c1-2-16-5-6-18-8-7-17-4-3-14(13)9-11(12)10-15;2*1-2/h9,15H,2-8,10,12-13H2,1H3;2*1-2H3/b11-9-;;
InChIKeyUEOXJSLMJIBCIJ-WSELPHFCSA-N
MW323.48 g/mol
LogP1.08
Rot. Bonds12

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

(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane (PubChem CID 145396356) has the molecular formula C15H37N3O4 and a molecular weight of 323.48 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane.

Molecular Properties

Compound Name(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
PubChem CID145396356
Molecular FormulaC15H37N3O4
Molecular Weight323.48 g/mol
Exact Mass323.28
IUPAC Name(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
SMILESCC.CC.CCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C11H25N3O4.2C2H6/c1-2-16-5-6-18-8-7-17-4-3-14(13)9-11(12)10-15;2*1-2/h9,15H,2-8,10,12-13H2,1H3;2*1-2H3/b11-9-;;
InChIKeyUEOXJSLMJIBCIJ-WSELPHFCSA-N
XLogP1.08
TPSA103.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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Related Compounds

(Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
CID 130458447
(Z)-2-diazenyl-3-[methyl-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol
CID 132109339
(Z)-2-amino-3-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol
CID 134414565
(Z)-2-hydrazinyl-3-[2-(2-methoxyethoxy)ethylamino]prop-2-en-1-ol
CID 135136811
(Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine;ethane
CID 144004090
2-[amino-[(Z)-2-amino-3-ethoxyprop-1-enyl]amino]ethanol;ethane
CID 144584893
(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
(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane;2-methylpropane
CID 145396354
(Z)-2-amino-3-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethylamino]prop-2-en-1-ol;ethane
CID 145396381
(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
(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
(Z)-2-amino-3-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
CID 145396392

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane?
The IUPAC name of (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane (CID 145396356) is (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane.
What is the SMILES notation for (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane?
The canonical SMILES for (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane is CC.CC.CCOCCOCCOCCN(N)/C=C(\N)CO.
What is the InChIKey of (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane?
The InChIKey is UEOXJSLMJIBCIJ-WSELPHFCSA-N. The full InChI is InChI=1S/C11H25N3O4.2C2H6/c1-2-16-5-6-18-8-7-17-4-3-14(13)9-11(12)10-15;2*1-2/h9,15H,2-8,10,12-13H2,1H3;2*1-2H3/b11-9-;;.
What are the key properties of (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane?
(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane has a molecular weight of 323.48 g/mol, XLogP of 1.08, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane is sourced from PubChem (CID 145396356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).