1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine

C13H24N4O — CID 78967537

IUPAC1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
SMILESCC(C)n1ccc(CNCC2CN(C)CCO2)n1
InChIInChI=1S/C13H24N4O/c1-11(2)17-5-4-12(15-17)8-14-9-13-10-16(3)6-7-18-13/h4-5,11,13-14H,6-10H2,1-3H3
InChIKeyVQKFHCAJAACFJS-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.88
Rot. Bonds5

About 1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine

1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine (PubChem CID 78967537) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
PubChem CID78967537
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
SMILESCC(C)n1ccc(CNCC2CN(C)CCO2)n1
InChIInChI=1S/C13H24N4O/c1-11(2)17-5-4-12(15-17)8-14-9-13-10-16(3)6-7-18-13/h4-5,11,13-14H,6-10H2,1-3H3
InChIKeyVQKFHCAJAACFJS-UHFFFAOYSA-N
XLogP0.88
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpiperidin-3-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770921
1-(4-methylmorpholin-2-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 79082730
1-(4-methylmorpholin-2-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 78945276
N-ethyl-1-(4-methylmorpholin-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 79093263
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770922
N-[(5-chlorofuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 78943077
N-[(3-methylfuran-2-yl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 115653459
N-[(5-chlorothiophen-2-yl)methyl]-1-[(2S)-4-methylmorpholin-2-yl]methanamine
CID 95598780
[5-[[(4-methylmorpholin-2-yl)methylamino]methyl]furan-2-yl]methanol
CID 79032869
N-[(5-bromothiophen-2-yl)methyl]-1-[(2R)-4-methylmorpholin-2-yl]methanamine
CID 95159793
4-[[(4-methylmorpholin-2-yl)methylamino]methyl]benzene-1,3-diol
CID 78943189
N,N-diethyl-4-[[(4-methylmorpholin-2-yl)methylamino]methyl]aniline
CID 78942834

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine (CID 78967537) is 1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine is CC(C)n1ccc(CNCC2CN(C)CCO2)n1.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
The InChIKey is VQKFHCAJAACFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)17-5-4-12(15-17)8-14-9-13-10-16(3)6-7-18-13/h4-5,11,13-14H,6-10H2,1-3H3.
What are the key properties of 1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine?
1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine has a molecular weight of 252.36 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 78967537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).