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

C15H23N3O — CID 80634441

IUPAC1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCOC3CCCC32)nc1
InChIInChI=1S/C15H23N3O/c1-11(16)9-12-5-6-15(17-10-12)18-7-8-19-14-4-2-3-13(14)18/h5-6,10-11,13-14H,2-4,7-9,16H2,1H3
InChIKeySCMXYEXYRPFRDC-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.73
Rot. Bonds3

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

1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine (PubChem CID 80634441) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine
PubChem CID80634441
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCOC3CCCC32)nc1
InChIInChI=1S/C15H23N3O/c1-11(16)9-12-5-6-15(17-10-12)18-7-8-19-14-4-2-3-13(14)18/h5-6,10-11,13-14H,2-4,7-9,16H2,1H3
InChIKeySCMXYEXYRPFRDC-UHFFFAOYSA-N
XLogP1.73
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine (CID 80634441) is 1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine is CC(N)Cc1ccc(N2CCOC3CCCC32)nc1.
What is the InChIKey of 1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine?
The InChIKey is SCMXYEXYRPFRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(16)9-12-5-6-15(17-10-12)18-7-8-19-14-4-2-3-13(14)18/h5-6,10-11,13-14H,2-4,7-9,16H2,1H3.
What are the key properties of 1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine?
1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80634441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).