2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine

C16H25N3O — CID 79245125

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCOC3CCCC32)c1
InChIInChI=1S/C16H25N3O/c1-2-7-17-13-6-8-18-14(11-13)12-19-9-10-20-16-5-3-4-15(16)19/h6,8,11,15-16H,2-5,7,9-10,12H2,1H3,(H,17,18)
InChIKeyROQKRNPBKCFMQG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.66
Rot. Bonds5

About 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine (PubChem CID 79245125) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine
PubChem CID79245125
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CN2CCOC3CCCC32)c1
InChIInChI=1S/C16H25N3O/c1-2-7-17-13-6-8-18-14(11-13)12-19-9-10-20-16-5-3-4-15(16)19/h6,8,11,15-16H,2-5,7,9-10,12H2,1H3,(H,17,18)
InChIKeyROQKRNPBKCFMQG-UHFFFAOYSA-N
XLogP2.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine (CID 79245125) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine is CCCNc1ccnc(CN2CCOC3CCCC32)c1.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine?
The InChIKey is ROQKRNPBKCFMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-7-17-13-6-8-18-14(11-13)12-19-9-10-20-16-5-3-4-15(16)19/h6,8,11,15-16H,2-5,7,9-10,12H2,1H3,(H,17,18).
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine has a molecular weight of 275.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-propylpyridin-4-amine is sourced from PubChem (CID 79245125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).