1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C15H25N3O — CID 102648848

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1C)C1=CCCCO1
InChIInChI=1S/C15H25N3O/c1-5-16-14(15-8-6-7-9-19-15)10-13-11(2)17-18(4)12(13)3/h8,14,16H,5-7,9-10H2,1-4H3
InChIKeyYIMKSGVMKJMEJR-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.25
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 102648848) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID102648848
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1c(C)nn(C)c1C)C1=CCCCO1
InChIInChI=1S/C15H25N3O/c1-5-16-14(15-8-6-7-9-19-15)10-13-11(2)17-18(4)12(13)3/h8,14,16H,5-7,9-10H2,1-4H3
InChIKeyYIMKSGVMKJMEJR-UHFFFAOYSA-N
XLogP2.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine with MolForge

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 102653559
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105104351
[1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propyl]hydrazine
CID 102654606
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
N-[3,4-dihydro-2H-pyran-6-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804682
1-(cyclohepten-1-yl)-N-ethyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 106657201
3,4-dihydro-2H-pyran-6-yl-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 102649824
1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 102647764
N-ethyl-1-(1-propylimidazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105148851
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 102653938
N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine
CID 103128405
N-ethyl-1-(4-fluoro-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105142748

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 102648848) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CCNC(Cc1c(C)nn(C)c1C)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is YIMKSGVMKJMEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-16-14(15-8-6-7-9-19-15)10-13-11(2)17-18(4)12(13)3/h8,14,16H,5-7,9-10H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 102648848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).