N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

C14H26N4O — CID 104959482

IUPACN-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N4O/c1-6-15-7-13-12(4)16-17(5)14(13)18-8-10(2)19-11(3)9-18/h10-11,15H,6-9H2,1-5H3/t10-,11+
InChIKeyZZXVLLQPEOEBCU-PHIMTYICSA-N
MW266.39 g/mol
LogP1.45
Rot. Bonds4

About N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine

N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (PubChem CID 104959482) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
PubChem CID104959482
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1c(C)nn(C)c1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C14H26N4O/c1-6-15-7-13-12(4)16-17(5)14(13)18-8-10(2)19-11(3)9-18/h10-11,15H,6-9H2,1-5H3/t10-,11+
InChIKeyZZXVLLQPEOEBCU-PHIMTYICSA-N
XLogP1.45
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 104959480
N-[[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060693
[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 43122234
N-[[5-(4-ethyl-3-methylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63634287
[1-[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-yl]methanol
CID 112626629
N-[[5-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 43581790
N-[[5-(4-tert-butylpiperazin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61432911
N-[[5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 115560687
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 103535947
1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-3-methylpiperidin-4-ol
CID 114679409
1-[1,3-dimethyl-4-(propylaminomethyl)pyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102961085
N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 43280236

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine (CID 104959482) is N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is CCNCc1c(C)nn(C)c1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is ZZXVLLQPEOEBCU-PHIMTYICSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-15-7-13-12(4)16-17(5)14(13)18-8-10(2)19-11(3)9-18/h10-11,15H,6-9H2,1-5H3/t10-,11+.
What are the key properties of N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine?
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 266.39 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 104959482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).