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

C13H24N4O — CID 43663239

IUPAC2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCn1nccc1CNCC(C)(C)N1CCOCC1
InChIInChI=1S/C13H24N4O/c1-13(2,17-6-8-18-9-7-17)11-14-10-12-4-5-15-16(12)3/h4-5,14H,6-11H2,1-3H3
InChIKeyWHEDQNJRJLUXJR-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.62
Rot. Bonds5

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

2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine (PubChem CID 43663239) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine
PubChem CID43663239
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine
SMILESCn1nccc1CNCC(C)(C)N1CCOCC1
InChIInChI=1S/C13H24N4O/c1-13(2,17-6-8-18-9-7-17)11-14-10-12-4-5-15-16(12)3/h4-5,14H,6-11H2,1-3H3
InChIKeyWHEDQNJRJLUXJR-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine (CID 43663239) is 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine is Cn1nccc1CNCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
The InChIKey is WHEDQNJRJLUXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,17-6-8-18-9-7-17)11-14-10-12-4-5-15-16(12)3/h4-5,14H,6-11H2,1-3H3.
What are the key properties of 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine?
2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine has a molecular weight of 252.36 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 43663239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).