6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine

C16H25N3O — CID 79244022

IUPAC6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN2CCOC3CCCCC32)n1
InChIInChI=1S/C16H25N3O/c1-2-17-16-9-5-6-13(18-16)12-19-10-11-20-15-8-4-3-7-14(15)19/h5-6,9,14-15H,2-4,7-8,10-12H2,1H3,(H,17,18)
InChIKeyRVLPCTKVRSGFKJ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.66
Rot. Bonds4

About 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine

6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine (PubChem CID 79244022) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine
PubChem CID79244022
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine
SMILESCCNc1cccc(CN2CCOC3CCCCC32)n1
InChIInChI=1S/C16H25N3O/c1-2-17-16-9-5-6-13(18-16)12-19-10-11-20-15-8-4-3-7-14(15)19/h5-6,9,14-15H,2-4,7-8,10-12H2,1H3,(H,17,18)
InChIKeyRVLPCTKVRSGFKJ-UHFFFAOYSA-N
XLogP2.66
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine?
The IUPAC name of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine (CID 79244022) is 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine.
What is the SMILES notation for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine?
The canonical SMILES for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine is CCNc1cccc(CN2CCOC3CCCCC32)n1.
What is the InChIKey of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine?
The InChIKey is RVLPCTKVRSGFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-17-16-9-5-6-13(18-16)12-19-10-11-20-15-8-4-3-7-14(15)19/h5-6,9,14-15H,2-4,7-8,10-12H2,1H3,(H,17,18).
What are the key properties of 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine?
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-N-ethylpyridin-2-amine is sourced from PubChem (CID 79244022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).