ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate

C14H22N2O3 — CID 79776365

IUPACethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate
SMILESCCOC(=O)CCCCCOc1ccc(CN)nc1
InChIInChI=1S/C14H22N2O3/c1-2-18-14(17)6-4-3-5-9-19-13-8-7-12(10-15)16-11-13/h7-8,11H,2-6,9-10,15H2,1H3
InChIKeyCDICSWXLFAGICW-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.04
Rot. Bonds9

About ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate

ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate (PubChem CID 79776365) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate.

Molecular Properties

Compound Nameethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate
PubChem CID79776365
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Nameethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate
SMILESCCOC(=O)CCCCCOc1ccc(CN)nc1
InChIInChI=1S/C14H22N2O3/c1-2-18-14(17)6-4-3-5-9-19-13-8-7-12(10-15)16-11-13/h7-8,11H,2-6,9-10,15H2,1H3
InChIKeyCDICSWXLFAGICW-UHFFFAOYSA-N
XLogP2.04
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(6-ethoxy-6-oxohexoxy)pyridine-2-carboxylic acid
CID 79794520
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
5-(4-ethoxy-4-oxobutoxy)pyridine-2-carboxylic acid
CID 156739390
ethyl 6-(4-tert-butylphenoxy)hexanoate
CID 59210875
ethyl 5-(4-formylphenoxy)pentanoate
CID 91655164
ethyl 11-(4-phenylmethoxyphenoxy)undecanoate
CID 21259961
ethyl 6-(4-heptoxyphenyl)-6-oxohexanoate
CID 24727585
bis[6-[6-(4-methylphenoxy)hexoxy]-6-oxohexyl] butanedioate
CID 58027900
ethyl 3-[4-(5-aminopentoxy)phenyl]propanoate
CID 162639923
ethyl 5-(5-bromo-2-pyridinyl)pentanoate
CID 23581271
ethyl 11-[4-[2-(dimethylamino)acetyl]phenoxy]undecanoate
CID 170896043

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate?
The IUPAC name of ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate (CID 79776365) is ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate.
What is the SMILES notation for ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate?
The canonical SMILES for ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate is CCOC(=O)CCCCCOc1ccc(CN)nc1.
What is the InChIKey of ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate?
The InChIKey is CDICSWXLFAGICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-18-14(17)6-4-3-5-9-19-13-8-7-12(10-15)16-11-13/h7-8,11H,2-6,9-10,15H2,1H3.
What are the key properties of ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate?
ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate has a molecular weight of 266.34 g/mol, XLogP of 2.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[6-(aminomethyl)-3-pyridinyl]oxy]hexanoate is sourced from PubChem (CID 79776365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).