ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride

C11H18Cl2N2O2 — CID 20505253

IUPACethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride
SMILESCl.Cl.[H]/N=C(/CCOCc1ccccn1)OCC
InChIInChI=1S/C11H16N2O2.2ClH/c1-2-15-11(12)6-8-14-9-10-5-3-4-7-13-10;;/h3-5,7,12H,2,6,8-9H2,1H3;2*1H/b12-11-;;
InChIKeyAWKHWSHJARUIFD-IPEZHVIRSA-N
MW281.18 g/mol
LogP2.85
Rot. Bonds6

About ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride

ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride (PubChem CID 20505253) has the molecular formula C11H18Cl2N2O2 and a molecular weight of 281.18 g/mol. Its IUPAC name is ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride.

Molecular Properties

Compound Nameethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride
PubChem CID20505253
Molecular FormulaC11H18Cl2N2O2
Molecular Weight281.18 g/mol
Exact Mass280.07
IUPAC Nameethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride
SMILESCl.Cl.[H]/N=C(/CCOCc1ccccn1)OCC
InChIInChI=1S/C11H16N2O2.2ClH/c1-2-15-11(12)6-8-14-9-10-5-3-4-7-13-10;;/h3-5,7,12H,2,6,8-9H2,1H3;2*1H/b12-11-;;
InChIKeyAWKHWSHJARUIFD-IPEZHVIRSA-N
XLogP2.85
TPSA55.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-phenoxypropanimidate
CID 55267889
[1-amino-3-(pyridin-2-ylmethoxy)propylidene]urea;dihydrochloride
CID 70533731
tert-butyl 3-(pyridin-2-ylmethoxy)propanoate
CID 14833129
2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 82240665
ethyl 2-(2-methyl-3-pyridinyl)ethanimidate
CID 19099344
5-(pyridin-2-ylmethoxy)pentanoic acid
CID 83213720
2-methyl-3-(2-pyridin-2-ylethoxy)propanimidamide
CID 43368929
ethyl 2-phenylsulfanylethanimidate;hydrochloride
CID 71342769
4-(2-pyridin-2-ylethoxy)butanimidamide
CID 43128902
ethyl 2,2-dimethyl-6-[4-[5-(pyridin-2-ylmethoxy)pentoxy]phenoxy]hexanoate
CID 14327286
2-[2-(pyridin-2-ylmethoxy)ethoxy]ethyl 3,4-dimethylbenzoate
CID 130399793
N-(pyridin-2-ylmethoxy)butanamide;hydrochloride
CID 18406825

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride?
The IUPAC name of ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride (CID 20505253) is ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride.
What is the SMILES notation for ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride?
The canonical SMILES for ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride is Cl.Cl.[H]/N=C(/CCOCc1ccccn1)OCC.
What is the InChIKey of ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride?
The InChIKey is AWKHWSHJARUIFD-IPEZHVIRSA-N. The full InChI is InChI=1S/C11H16N2O2.2ClH/c1-2-15-11(12)6-8-14-9-10-5-3-4-7-13-10;;/h3-5,7,12H,2,6,8-9H2,1H3;2*1H/b12-11-;;.
What are the key properties of ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride?
ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride has a molecular weight of 281.18 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(pyridin-2-ylmethoxy)propanimidate;dihydrochloride is sourced from PubChem (CID 20505253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).