N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine

C15H27NO3 — CID 116765938

IUPACN-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)C1(OCC)CCOCC1
InChIInChI=1S/C15H27NO3/c1-3-16-14(13-6-5-9-18-12-13)15(19-4-2)7-10-17-11-8-15/h12,14,16H,3-11H2,1-2H3
InChIKeyLHMYKGUEQDADAE-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.24
Rot. Bonds6

About N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine (PubChem CID 116765938) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
PubChem CID116765938
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
SMILESCCNC(C1=COCCC1)C1(OCC)CCOCC1
InChIInChI=1S/C15H27NO3/c1-3-16-14(13-6-5-9-18-12-13)15(19-4-2)7-10-17-11-8-15/h12,14,16H,3-11H2,1-2H3
InChIKeyLHMYKGUEQDADAE-UHFFFAOYSA-N
XLogP2.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766056
[3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277842
N-[2,3-dihydrofuran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 102652255
3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
CID 116768695
N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 116765942
N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 116765796
N-[(4-ethoxyoxan-4-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 116765818
N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 116765908
N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114661923
N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 116765859
1-(4-ethoxyoxan-4-yl)-N-ethylpropan-1-amine
CID 116765788
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765825

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine (CID 116765938) is N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine is CCNC(C1=COCCC1)C1(OCC)CCOCC1.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine?
The InChIKey is LHMYKGUEQDADAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-16-14(13-6-5-9-18-12-13)15(19-4-2)7-10-17-11-8-15/h12,14,16H,3-11H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine has a molecular weight of 269.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 116765938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).