N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine

C15H27N3O3 — CID 114661923

IUPACN-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1C)C1(OCC)CCOCC1
InChIInChI=1S/C15H27N3O3/c1-5-16-14(13-12(19-4)11-17-18(13)3)15(21-6-2)7-9-20-10-8-15/h11,14,16H,5-10H2,1-4H3
InChIKeyONQCJORKBPVBDJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.66
Rot. Bonds7

About N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine

N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine (PubChem CID 114661923) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
PubChem CID114661923
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
SMILESCCNC(c1c(OC)cnn1C)C1(OCC)CCOCC1
InChIInChI=1S/C15H27N3O3/c1-5-16-14(13-12(19-4)11-17-18(13)3)15(21-6-2)7-9-20-10-8-15/h11,14,16H,5-10H2,1-4H3
InChIKeyONQCJORKBPVBDJ-UHFFFAOYSA-N
XLogP1.66
TPSA57.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methoxycyclobutyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114660947
N-[(1-methoxycyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine
CID 114661820
N-[(4-ethoxyoxan-4-yl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 116765796
N-[(4-chloro-1-methylpyrazol-5-yl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 114661892
[(4-methoxyoxan-4-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105276584
N-[(4-ethoxyoxan-4-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 116765942
N-[(4-ethoxyoxan-4-yl)-(1-ethylimidazol-2-yl)methyl]ethanamine
CID 116765818
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
N-[(4-ethoxyoxan-4-yl)-(5-fluoro-3-pyridinyl)methyl]ethanamine
CID 116765908
[(1-ethoxycyclopentyl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 105275736
N-[2,3-dihydrofuran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 102652255

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine (CID 114661923) is N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine is CCNC(c1c(OC)cnn1C)C1(OCC)CCOCC1.
What is the InChIKey of N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is ONQCJORKBPVBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-5-16-14(13-12(19-4)11-17-18(13)3)15(21-6-2)7-9-20-10-8-15/h11,14,16H,5-10H2,1-4H3.
What are the key properties of N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine?
N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 297.40 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyoxan-4-yl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114661923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).