3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C15H28N4O — CID 95579532

IUPAC3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1n[nH]c(C)c1CNCCCN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C15H28N4O/c1-11-9-19(10-12(2)20-11)7-5-6-16-8-15-13(3)17-18-14(15)4/h11-12,16H,5-10H2,1-4H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyCMINMLFNKLHBRC-VXGBXAGGSA-N
MW280.42 g/mol
LogP1.62
Rot. Bonds6

About 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine

3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 95579532) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID95579532
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1n[nH]c(C)c1CNCCCN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C15H28N4O/c1-11-9-19(10-12(2)20-11)7-5-6-16-8-15-13(3)17-18-14(15)4/h11-12,16H,5-10H2,1-4H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyCMINMLFNKLHBRC-VXGBXAGGSA-N
XLogP1.62
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dimethylmorpholin-4-yl)-N-(1H-pyrazol-5-ylmethyl)butan-1-amine
CID 119110486
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CID 119109875
3-(2,6-dimethylmorpholin-4-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 56807387
3-(3,5-dimethylpyrazol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 86808394
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503
3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43645009
1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
CID 63897394
N-[(4-bromophenyl)methyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butan-1-amine
CID 94939280
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]ethylurea
CID 83109596
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,6-dimethylmorpholine
CID 16767831
N-cyclopropyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]butanamide
CID 112732619
4-(2,6-dimethylmorpholin-4-yl)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 119114881

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 95579532) is 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine is Cc1n[nH]c(C)c1CNCCCN1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is CMINMLFNKLHBRC-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11-9-19(10-12(2)20-11)7-5-6-16-8-15-13(3)17-18-14(15)4/h11-12,16H,5-10H2,1-4H3,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 280.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 95579532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).