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

C11H25N3O4 — CID 145396357

IUPAC(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol
SMILESCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C11H25N3O4/c1-2-16-5-6-18-8-7-17-4-3-14(13)9-11(12)10-15/h9,15H,2-8,10,12-13H2,1H3/b11-9-
InChIKeyBQAUUNURHNNYFM-LUAWRHEFSA-N
MW263.34 g/mol
LogP-0.98
Rot. Bonds12

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

(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol (PubChem CID 145396357) has the molecular formula C11H25N3O4 and a molecular weight of 263.34 g/mol. Its IUPAC name is (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol
PubChem CID145396357
Molecular FormulaC11H25N3O4
Molecular Weight263.34 g/mol
Exact Mass263.18
IUPAC Name(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol
SMILESCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C11H25N3O4/c1-2-16-5-6-18-8-7-17-4-3-14(13)9-11(12)10-15/h9,15H,2-8,10,12-13H2,1H3/b11-9-
InChIKeyBQAUUNURHNNYFM-LUAWRHEFSA-N
XLogP-0.98
TPSA103.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.98
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-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
CID 130458419
(Z)-1-[amino-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
CID 130458447
3-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole
CID 130458448
(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-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
CID 145396356
(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

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?
The IUPAC name of (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol (CID 145396357) is (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol.
What is the SMILES notation for (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol?
The canonical SMILES for (Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol is 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?
The InChIKey is BQAUUNURHNNYFM-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H25N3O4/c1-2-16-5-6-18-8-7-17-4-3-14(13)9-11(12)10-15/h9,15H,2-8,10,12-13H2,1H3/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?
(Z)-2-amino-3-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-2-en-1-ol has a molecular weight of 263.34 g/mol, XLogP of -0.98, 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 is sourced from PubChem (CID 145396357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).