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

C15H28N4O2 — CID 104959480

IUPACN-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H28N4O2/c1-11-9-19(10-12(2)21-11)15-14(8-16-6-7-20-5)13(3)17-18(15)4/h11-12,16H,6-10H2,1-5H3/t11-,12+
InChIKeyPNUSDPUQNCHATF-TXEJJXNPSA-N
MW296.42 g/mol
LogP1.08
Rot. Bonds6

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

N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 104959480) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID104959480
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC NameN-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1c(C)nn(C)c1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H28N4O2/c1-11-9-19(10-12(2)21-11)15-14(8-16-6-7-20-5)13(3)17-18(15)4/h11-12,16H,6-10H2,1-5H3/t11-,12+
InChIKeyPNUSDPUQNCHATF-TXEJJXNPSA-N
XLogP1.08
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060693
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 104959482
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methoxyethanamine
CID 55134728
N-[[5-(azocan-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63060889
1-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]-4-methylpiperidin-3-ol
CID 102960925
[5-(2,6-dimethylmorpholin-4-yl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 43122234
N-[[5-(3,4-dimethoxypyrrolidin-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 103535947
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
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
4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(oxolan-3-yl)pyrazol-5-amine
CID 82742332
N-[[1,3-dimethyl-5-(4-methylpiperidin-1-yl)pyrazol-4-yl]methyl]propan-1-amine
CID 43280236
N-[[1,3-dimethyl-5-(3-propan-2-ylpyrazol-1-yl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63070769

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine (CID 104959480) is N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1c(C)nn(C)c1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is PNUSDPUQNCHATF-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11-9-19(10-12(2)21-11)15-14(8-16-6-7-20-5)13(3)17-18(15)4/h11-12,16H,6-10H2,1-5H3/t11-,12+.
What are the key properties of N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine?
N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 296.42 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 104959480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).