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

C15H26N4O — CID 103571823

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CN)N2CCOC3CCCC32)cn1
InChIInChI=1S/C15H26N4O/c1-2-6-18-11-12(10-17-18)14(9-16)19-7-8-20-15-5-3-4-13(15)19/h10-11,13-15H,2-9,16H2,1H3
InChIKeyRPSVNDIQFYIQHG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.55
Rot. Bonds5

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

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 103571823) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-4-yl)ethanamine
PubChem CID103571823
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(CN)N2CCOC3CCCC32)cn1
InChIInChI=1S/C15H26N4O/c1-2-6-18-11-12(10-17-18)14(9-16)19-7-8-20-15-5-3-4-13(15)19/h10-11,13-15H,2-9,16H2,1H3
InChIKeyRPSVNDIQFYIQHG-UHFFFAOYSA-N
XLogP1.55
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.55
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-propylpyrazol-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-propylpyrazol-4-yl)ethanamine (CID 103571823) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-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-propylpyrazol-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-propylpyrazol-4-yl)ethanamine is CCCn1cc(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-propylpyrazol-4-yl)ethanamine?
The InChIKey is RPSVNDIQFYIQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-2-6-18-11-12(10-17-18)14(9-16)19-7-8-20-15-5-3-4-13(15)19/h10-11,13-15H,2-9,16H2,1H3.
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-4-yl)ethanamine?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.55, 5 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-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103571823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).