1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine

C13H24N2O — CID 79088682

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine
SMILESNC(CC1CCC1)C1CN2CCCC2CO1
InChIInChI=1S/C13H24N2O/c14-12(7-10-3-1-4-10)13-8-15-6-2-5-11(15)9-16-13/h10-13H,1-9,14H2
InChIKeyTZYWVDYOYVOZHH-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.37
Rot. Bonds3

About 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine (PubChem CID 79088682) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine
PubChem CID79088682
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine
SMILESNC(CC1CCC1)C1CN2CCCC2CO1
InChIInChI=1S/C13H24N2O/c14-12(7-10-3-1-4-10)13-8-15-6-2-5-11(15)9-16-13/h10-13H,1-9,14H2
InChIKeyTZYWVDYOYVOZHH-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine (CID 79088682) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine.
What is the SMILES notation for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine is NC(CC1CCC1)C1CN2CCCC2CO1.
What is the InChIKey of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine?
The InChIKey is TZYWVDYOYVOZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-12(7-10-3-1-4-10)13-8-15-6-2-5-11(15)9-16-13/h10-13H,1-9,14H2.
What are the key properties of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine has a molecular weight of 224.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclobutylethanamine is sourced from PubChem (CID 79088682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).