2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine

C14H24N4O — CID 103569546

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(C(CN)N2CCOC3CCCC32)cn1
InChIInChI=1S/C14H24N4O/c1-2-17-10-11(9-16-17)13(8-15)18-6-7-19-14-5-3-4-12(14)18/h9-10,12-14H,2-8,15H2,1H3
InChIKeyIJDRJDZGYVQRMR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.16
Rot. Bonds4

About 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 103569546) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID103569546
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(C(CN)N2CCOC3CCCC32)cn1
InChIInChI=1S/C14H24N4O/c1-2-17-10-11(9-16-17)13(8-15)18-6-7-19-14-5-3-4-12(14)18/h9-10,12-14H,2-8,15H2,1H3
InChIKeyIJDRJDZGYVQRMR-UHFFFAOYSA-N
XLogP1.16
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine (CID 103569546) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine is CCn1cc(C(CN)N2CCOC3CCCC32)cn1.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is IJDRJDZGYVQRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-17-10-11(9-16-17)13(8-15)18-6-7-19-14-5-3-4-12(14)18/h9-10,12-14H,2-8,15H2,1H3.
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103569546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).