ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine

C13H27NO4 — CID 170719391

IUPACethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
SMILESC#CCOCCOCCOCCOCCN.CC
InChIInChI=1S/C11H21NO4.C2H6/c1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12;1-2/h1H,3-12H2;1-2H3
InChIKeyHIEZRULPJSJILE-UHFFFAOYSA-N
MW261.36 g/mol
LogP0.67
Rot. Bonds12

About ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine

ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine (PubChem CID 170719391) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Nameethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
PubChem CID170719391
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nameethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine
SMILESC#CCOCCOCCOCCOCCN.CC
InChIInChI=1S/C11H21NO4.C2H6/c1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12;1-2/h1H,3-12H2;1-2H3
InChIKeyHIEZRULPJSJILE-UHFFFAOYSA-N
XLogP0.67
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(2-prop-2-ynoxyethoxy)ethanamine
CID 144801544
CID 172894425
CID 172894425
3-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]prop-1-yne
CID 91809458
3-[2-(2-(18F)fluoroethoxy)ethoxy]prop-1-yne
CID 16724484
4-prop-2-ynoxybutan-1-amine
CID 126972070
3-prop-2-ynoxypropan-1-amine;hydrochloride
CID 154853238
2-but-3-ynoxyethanamine
CID 62343032
N-methyl-2-(2-prop-2-ynoxyethoxy)-N-[2-(2-prop-2-ynoxyethoxy)ethyl]ethanamine
CID 102514803
2-methyl-1,3-bis[2-(2-prop-2-ynoxyethoxy)ethoxy]-2-[2-(2-prop-2-ynoxyethoxy)ethoxymethyl]propane
CID 25199391
CID 176727323
CID 176727323
2-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]ethanamine
CID 155396862
O-(2-prop-2-ynoxyethyl)hydroxylamine;hydrochloride
CID 163342975

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine?
The IUPAC name of ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine (CID 170719391) is ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine?
The canonical SMILES for ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine is C#CCOCCOCCOCCOCCN.CC.
What is the InChIKey of ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine?
The InChIKey is HIEZRULPJSJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4.C2H6/c1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12;1-2/h1H,3-12H2;1-2H3.
What are the key properties of ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine?
ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine has a molecular weight of 261.36 g/mol, XLogP of 0.67, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 170719391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).