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

C19H45N3O6 — CID 145396421

IUPAC(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
SMILESCC.CC.CCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C15H33N3O6.2C2H6/c1-2-20-5-6-22-9-10-24-12-11-23-8-7-21-4-3-18(17)13-15(16)14-19;2*1-2/h13,19H,2-12,14,16-17H2,1H3;2*1-2H3/b15-13-;;
InChIKeyRLQHDDZOEHGXJI-FQGJLALVSA-N
MW411.58 g/mol
LogP1.11
Rot. Bonds18

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

(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane (PubChem CID 145396421) has the molecular formula C19H45N3O6 and a molecular weight of 411.58 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;ethane.

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;ethane
PubChem CID145396421
Molecular FormulaC19H45N3O6
Molecular Weight411.58 g/mol
Exact Mass411.33
IUPAC Name(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane
SMILESCC.CC.CCOCCOCCOCCOCCOCCN(N)/C=C(\N)CO
InChIInChI=1S/C15H33N3O6.2C2H6/c1-2-20-5-6-22-9-10-24-12-11-23-8-7-21-4-3-18(17)13-15(16)14-19;2*1-2/h13,19H,2-12,14,16-17H2,1H3;2*1-2H3/b15-13-;;
InChIKeyRLQHDDZOEHGXJI-FQGJLALVSA-N
XLogP1.11
TPSA121.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 51.11
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;ethane?
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;ethane (CID 145396421) is (Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)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-ethoxyethoxy)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-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane is CC.CC.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;ethane?
The InChIKey is RLQHDDZOEHGXJI-FQGJLALVSA-N. The full InChI is InChI=1S/C15H33N3O6.2C2H6/c1-2-20-5-6-22-9-10-24-12-11-23-8-7-21-4-3-18(17)13-15(16)14-19;2*1-2/h13,19H,2-12,14,16-17H2,1H3;2*1-2H3/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;ethane?
(Z)-2-amino-3-[amino-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]amino]prop-2-en-1-ol;ethane has a molecular weight of 411.58 g/mol, XLogP of 1.11, 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;ethane is sourced from PubChem (CID 145396421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).