N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine

C15H27N3O2 — CID 116765796

IUPACN-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)C1(OCC)CCOCC1
InChIInChI=1S/C15H27N3O2/c1-4-16-14(13-11-17-18(5-2)12-13)15(20-6-3)7-9-19-10-8-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeyXJONKOBWTSEAAA-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.14
Rot. Bonds7

About N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine

N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine (PubChem CID 116765796) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
PubChem CID116765796
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1cnn(CC)c1)C1(OCC)CCOCC1
InChIInChI=1S/C15H27N3O2/c1-4-16-14(13-11-17-18(5-2)12-13)15(20-6-3)7-9-19-10-8-15/h11-12,14,16H,4-10H2,1-3H3
InChIKeyXJONKOBWTSEAAA-UHFFFAOYSA-N
XLogP2.14
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethoxycyclopentyl)-(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 116762353
N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 116762281
[(1-ethoxycycloheptyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105278414
N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 116765942
N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 116765908
N-[(4-ethoxyoxan-4-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 116765818
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
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765938
(1-ethoxycyclohexyl)-(1-ethylpyrazol-4-yl)methanol
CID 116753795
N-[2,3-dihydrofuran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 102652255
N-[1-(1-ethylpyrazol-4-yl)ethyl]-4-methyloxane-4-carboxamide
CID 138017239

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine (CID 116765796) is N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine is CCNC(c1cnn(CC)c1)C1(OCC)CCOCC1.
What is the InChIKey of N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is XJONKOBWTSEAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-16-14(13-11-17-18(5-2)12-13)15(20-6-3)7-9-19-10-8-15/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine?
N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 116765796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).