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

C15H28N2O2 — CID 62258848

IUPAC1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCOC3CCCCC32)CCOC1
InChIInChI=1S/C15H28N2O2/c1-16-10-15(6-8-18-12-15)11-17-7-9-19-14-5-3-2-4-13(14)17/h13-14,16H,2-12H2,1H3
InChIKeyOGYYIUSJTATJTK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.26
Rot. Bonds4

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

1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine (PubChem CID 62258848) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine
PubChem CID62258848
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine
SMILESCNCC1(CN2CCOC3CCCCC32)CCOC1
InChIInChI=1S/C15H28N2O2/c1-16-10-15(6-8-18-12-15)11-17-7-9-19-14-5-3-2-4-13(14)17/h13-14,16H,2-12H2,1H3
InChIKeyOGYYIUSJTATJTK-UHFFFAOYSA-N
XLogP1.26
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine (CID 62258848) is 1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine is CNCC1(CN2CCOC3CCCCC32)CCOC1.
What is the InChIKey of 1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine?
The InChIKey is OGYYIUSJTATJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16-10-15(6-8-18-12-15)11-17-7-9-19-14-5-3-2-4-13(14)17/h13-14,16H,2-12H2,1H3.
What are the key properties of 1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine?
1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine has a molecular weight of 268.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62258848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).