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

C13H24N2O — CID 79088310

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine
SMILESNC(C1CCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C13H24N2O/c14-13(10-4-1-2-5-10)12-8-15-7-3-6-11(15)9-16-12/h10-13H,1-9,14H2
InChIKeyQBUGPCPXMKRGES-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.37
Rot. Bonds2

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

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine (PubChem CID 79088310) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine
PubChem CID79088310
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine
SMILESNC(C1CCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C13H24N2O/c14-13(10-4-1-2-5-10)12-8-15-7-3-6-11(15)9-16-12/h10-13H,1-9,14H2
InChIKeyQBUGPCPXMKRGES-UHFFFAOYSA-N
XLogP1.37
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine (CID 79088310) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine is NC(C1CCCC1)C1CN2CCCC2CO1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine?
The InChIKey is QBUGPCPXMKRGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c14-13(10-4-1-2-5-10)12-8-15-7-3-6-11(15)9-16-12/h10-13H,1-9,14H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine has a molecular weight of 224.35 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(cyclopentyl)methanamine is sourced from PubChem (CID 79088310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).