N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine

C15H28N4O — CID 64801639

IUPACN-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCCC(C)n1ccc(CNC(C)CN2CCOCC2)n1
InChIInChI=1S/C15H28N4O/c1-4-14(3)19-6-5-15(17-19)11-16-13(2)12-18-7-9-20-10-8-18/h5-6,13-14,16H,4,7-12H2,1-3H3
InChIKeyXFFJLQXYIZQJQC-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.66
Rot. Bonds7

About N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine (PubChem CID 64801639) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
PubChem CID64801639
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
SMILESCCC(C)n1ccc(CNC(C)CN2CCOCC2)n1
InChIInChI=1S/C15H28N4O/c1-4-14(3)19-6-5-15(17-19)11-16-13(2)12-18-7-9-20-10-8-18/h5-6,13-14,16H,4,7-12H2,1-3H3
InChIKeyXFFJLQXYIZQJQC-UHFFFAOYSA-N
XLogP1.66
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]propan-2-amine
CID 64771808
N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 78921223
4-bromo-N-[(1-butan-2-ylpyrazol-3-yl)methyl]butan-2-amine
CID 83188395
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 112688776
1-morpholin-4-yl-N-(pyrimidin-2-ylmethyl)propan-2-amine
CID 62699740
N-[(5-ethylfuran-2-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 62345255
N-[(2-ethylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 115761765
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-chlorobutan-2-amine
CID 65026559
2-methyl-N-(1-morpholin-4-ylpropan-2-yl)butan-1-amine
CID 43675679
2-(1-butan-2-ylpyrazol-3-yl)-N-ethyl-1-(oxan-4-yl)ethanamine
CID 65334393
1-morpholin-4-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66129529
1-morpholin-4-yl-N-[(1-propylimidazol-2-yl)methyl]propan-2-amine
CID 62956125

Frequently Asked Questions

What is the IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The IUPAC name of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine (CID 64801639) is N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine.
What is the SMILES notation for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The canonical SMILES for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine is CCC(C)n1ccc(CNC(C)CN2CCOCC2)n1.
What is the InChIKey of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
The InChIKey is XFFJLQXYIZQJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-14(3)19-6-5-15(17-19)11-16-13(2)12-18-7-9-20-10-8-18/h5-6,13-14,16H,4,7-12H2,1-3H3.
What are the key properties of N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine?
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine has a molecular weight of 280.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine is sourced from PubChem (CID 64801639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).