1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine

C16H28N4O — CID 95333828

IUPAC1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCCn1nc(C)c(CNC[C@H]2CN(C3CC3)CCO2)c1C
InChIInChI=1S/C16H28N4O/c1-4-20-13(3)16(12(2)18-20)10-17-9-15-11-19(7-8-21-15)14-5-6-14/h14-15,17H,4-11H2,1-3H3/t15-/m0/s1
InChIKeyOYGPLHAYRXKKEV-HNNXBMFYSA-N
MW292.43 g/mol
LogP1.47
Rot. Bonds6

About 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine

1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 95333828) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine
PubChem CID95333828
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine
SMILESCCn1nc(C)c(CNC[C@H]2CN(C3CC3)CCO2)c1C
InChIInChI=1S/C16H28N4O/c1-4-20-13(3)16(12(2)18-20)10-17-9-15-11-19(7-8-21-15)14-5-6-14/h14-15,17H,4-11H2,1-3H3/t15-/m0/s1
InChIKeyOYGPLHAYRXKKEV-HNNXBMFYSA-N
XLogP1.47
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine (CID 95333828) is 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine is CCn1nc(C)c(CNC[C@H]2CN(C3CC3)CCO2)c1C.
What is the InChIKey of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is OYGPLHAYRXKKEV-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-20-13(3)16(12(2)18-20)10-17-9-15-11-19(7-8-21-15)14-5-6-14/h14-15,17H,4-11H2,1-3H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine?
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 292.43 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 95333828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).