2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine

C16H30N4O — CID 86779485

IUPAC2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCC(NCC(C)N1CCOCC1C)c1cnn(C(C)C)c1
InChIInChI=1S/C16H30N4O/c1-12(2)20-10-16(9-18-20)15(5)17-8-13(3)19-6-7-21-11-14(19)4/h9-10,12-15,17H,6-8,11H2,1-5H3
InChIKeyNULZPEAUTAOABS-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.22
Rot. Bonds6

About 2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine

2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 86779485) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID86779485
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCC(NCC(C)N1CCOCC1C)c1cnn(C(C)C)c1
InChIInChI=1S/C16H30N4O/c1-12(2)20-10-16(9-18-20)15(5)17-8-13(3)19-6-7-21-11-14(19)4/h9-10,12-15,17H,6-8,11H2,1-5H3
InChIKeyNULZPEAUTAOABS-UHFFFAOYSA-N
XLogP2.22
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine (CID 86779485) is 2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine is CC(NCC(C)N1CCOCC1C)c1cnn(C(C)C)c1.
What is the InChIKey of 2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is NULZPEAUTAOABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-12(2)20-10-16(9-18-20)15(5)17-8-13(3)19-6-7-21-11-14(19)4/h9-10,12-15,17H,6-8,11H2,1-5H3.
What are the key properties of 2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine?
2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 294.44 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylmorpholin-4-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 86779485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).