N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine

C11H19NO2S — CID 102651946

IUPACN-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1CSCCO1
InChIInChI=1S/C11H19NO2S/c1-2-12-11(9-4-3-5-13-9)10-8-15-7-6-14-10/h4,10-12H,2-3,5-8H2,1H3
InChIKeyBYQFSBQVFCUAOJ-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.40
Rot. Bonds4

About N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine

N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine (PubChem CID 102651946) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine
PubChem CID102651946
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine
SMILESCCNC(C1=CCCO1)C1CSCCO1
InChIInChI=1S/C11H19NO2S/c1-2-12-11(9-4-3-5-13-9)10-8-15-7-6-14-10/h4,10-12H,2-3,5-8H2,1H3
InChIKeyBYQFSBQVFCUAOJ-UHFFFAOYSA-N
XLogP1.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]hydrazine
CID 102654255
N-[1,4-oxathian-2-yl-(2,4,5-trimethylphenyl)methyl]ethanamine
CID 79962439
N-[(3-chlorothiophen-2-yl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 107360001
N-[(2,5-dimethoxyphenyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 79963651
N-[(4-cyclobutylphenyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 116506328
N-[2,3-dihydro-1,4-benzoxathiin-2-yl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 106601619
N-[1,4-oxathian-2-yl-(1-propylimidazol-2-yl)methyl]ethanamine
CID 79962860
N-[1,4-oxathian-2-yl(quinolin-3-yl)methyl]ethanamine
CID 79963246
N,3-diethyl-1-(1,4-oxathian-2-yl)pentan-1-amine
CID 82922082
N-[2-bicyclo[2.2.1]heptanyl(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102652139
2-[4-chloro-5-[ethylamino(1,4-oxathian-2-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 114658118
N-[2,3-dihydrofuran-5-yl-(2,2-dimethylcyclohexyl)methyl]ethanamine
CID 107191593

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine?
The IUPAC name of N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine (CID 102651946) is N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine?
The canonical SMILES for N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine is CCNC(C1=CCCO1)C1CSCCO1.
What is the InChIKey of N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine?
The InChIKey is BYQFSBQVFCUAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-2-12-11(9-4-3-5-13-9)10-8-15-7-6-14-10/h4,10-12H,2-3,5-8H2,1H3.
What are the key properties of N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine?
N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine has a molecular weight of 229.34 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydrofuran-5-yl(1,4-oxathian-2-yl)methyl]ethanamine is sourced from PubChem (CID 102651946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).