3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

C16H23N3O — CID 79740055

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESNC(C1CN2CCCC2CO1)C1CCc2cccnc21
InChIInChI=1S/C16H23N3O/c17-15(13-6-5-11-3-1-7-18-16(11)13)14-9-19-8-2-4-12(19)10-20-14/h1,3,7,12-15H,2,4-6,8-10,17H2
InChIKeyPBACCPJSOKJPDT-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.30
Rot. Bonds2

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (PubChem CID 79740055) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
PubChem CID79740055
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
SMILESNC(C1CN2CCCC2CO1)C1CCc2cccnc21
InChIInChI=1S/C16H23N3O/c17-15(13-6-5-11-3-1-7-18-16(11)13)14-9-19-8-2-4-12(19)10-20-14/h1,3,7,12-15H,2,4-6,8-10,17H2
InChIKeyPBACCPJSOKJPDT-UHFFFAOYSA-N
XLogP1.30
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine with MolForge

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Related Compounds

1,4-diazabicyclo[2.2.2]octan-2-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 79973803
cyclooctyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 80604020
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(quinolin-8-yl)methanol
CID 81210526
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(2-phenylcyclopropyl)methanamine
CID 116517715
(4-propylmorpholin-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 79739335
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,2-dimethylcyclopropyl)methanamine
CID 107004734
3-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(amino)methyl]-4-methylpyridin-2-amine
CID 79088765
(1R)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)ethanamine
CID 104932115
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)piperidin-3-amine
CID 79739456
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylbutan-1-amine
CID 79748029
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butan-1-amine
CID 79748418
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-methoxypyrazin-2-yl)methanamine
CID 104515867

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(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine (CID 79740055) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is NC(C1CN2CCCC2CO1)C1CCc2cccnc21.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
The InChIKey is PBACCPJSOKJPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-15(13-6-5-11-3-1-7-18-16(11)13)14-9-19-8-2-4-12(19)10-20-14/h1,3,7,12-15H,2,4-6,8-10,17H2.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 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(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine is sourced from PubChem (CID 79740055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).