[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine

C14H26N2O2 — CID 55243016

IUPAC[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine
SMILESNCC1(CN2CCOC3CCCC32)CCCOC1
InChIInChI=1S/C14H26N2O2/c15-9-14(5-2-7-17-11-14)10-16-6-8-18-13-4-1-3-12(13)16/h12-13H,1-11,15H2
InChIKeyNECVHXYCGWMGKL-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.00
Rot. Bonds3

About [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine

[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine (PubChem CID 55243016) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine
PubChem CID55243016
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine
SMILESNCC1(CN2CCOC3CCCC32)CCCOC1
InChIInChI=1S/C14H26N2O2/c15-9-14(5-2-7-17-11-14)10-16-6-8-18-13-4-1-3-12(13)16/h12-13H,1-11,15H2
InChIKeyNECVHXYCGWMGKL-UHFFFAOYSA-N
XLogP1.00
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanol
CID 55241861
N-[[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methyl]ethanamine
CID 63740873
1-[3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxolan-3-yl]-N-methylmethanamine
CID 62258848
N-[[1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 62260424
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)oxolan-3-yl]methanamine
CID 63335447
1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)oxan-4-yl]-N-methylmethanamine
CID 62392564
N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclohexyl]methyl]ethanamine
CID 62258681
N-[[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 62259362
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cyclobutyl]methanamine
CID 115449090
[4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)oxan-4-yl]methanamine
CID 82749737
[3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxan-3-yl]methanamine
CID 55243601
[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63741360

Frequently Asked Questions

What is the IUPAC name of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine?
The IUPAC name of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine (CID 55243016) is [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine.
What is the SMILES notation for [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine?
The canonical SMILES for [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine is NCC1(CN2CCOC3CCCC32)CCCOC1.
What is the InChIKey of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine?
The InChIKey is NECVHXYCGWMGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-9-14(5-2-7-17-11-14)10-16-6-8-18-13-4-1-3-12(13)16/h12-13H,1-11,15H2.
What are the key properties of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine?
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine has a molecular weight of 254.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)oxan-3-yl]methanamine is sourced from PubChem (CID 55243016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).