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

C14H26N2O — CID 79089591

IUPAC1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanamine
SMILESNC(CC1CCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C14H26N2O/c15-13(8-11-4-1-2-5-11)14-9-16-7-3-6-12(16)10-17-14/h11-14H,1-10,15H2
InChIKeyBWLKYTJGDOBFIE-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.76
Rot. Bonds3

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

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanamine (PubChem CID 79089591) has the molecular formula C14H26N2O and a molecular weight of 238.37 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-cyclopentylethanamine.

Molecular Properties

Compound Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanamine
PubChem CID79089591
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanamine
SMILESNC(CC1CCCC1)C1CN2CCCC2CO1
InChIInChI=1S/C14H26N2O/c15-13(8-11-4-1-2-5-11)14-9-16-7-3-6-12(16)10-17-14/h11-14H,1-10,15H2
InChIKeyBWLKYTJGDOBFIE-UHFFFAOYSA-N
XLogP1.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-cyclopentylethanamine?
The IUPAC name of 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanamine (CID 79089591) is 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanamine.
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-cyclopentylethanamine?
The canonical SMILES for 1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanamine is NC(CC1CCCC1)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-cyclopentylethanamine?
The InChIKey is BWLKYTJGDOBFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-13(8-11-4-1-2-5-11)14-9-16-7-3-6-12(16)10-17-14/h11-14H,1-10,15H2.
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-cyclopentylethanamine?
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-cyclopentylethanamine has a molecular weight of 238.37 g/mol, XLogP of 1.76, 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-cyclopentylethanamine is sourced from PubChem (CID 79089591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).