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

C14H26N2O2 — CID 55089832

IUPAC2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1COC(CNCCN2CCOC3CCCC32)C1
InChIInChI=1S/C14H26N2O2/c1-4-13-14(5-1)18-10-8-16(13)7-6-15-11-12-3-2-9-17-12/h12-15H,1-11H2
InChIKeyRAPVOOVQOGSOGI-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.01
Rot. Bonds5

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

2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 55089832) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID55089832
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESC1COC(CNCCN2CCOC3CCCC32)C1
InChIInChI=1S/C14H26N2O2/c1-4-13-14(5-1)18-10-8-16(13)7-6-15-11-12-3-2-9-17-12/h12-15H,1-11H2
InChIKeyRAPVOOVQOGSOGI-UHFFFAOYSA-N
XLogP1.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(oxolan-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 84583277
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(2-methylsulfonylethyl)ethanamine
CID 55089934
4-(oxan-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 71940074
3-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 113219606
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62887699
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 79946193
2-(3-azabicyclo[3.3.1]nonan-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 114196851
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-N-propylpropan-1-amine
CID 55070945
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(2-methylpropyl)butan-1-amine
CID 62436396
4-[2-(1,3-dioxan-2-yl)ethyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 66475128
4-(6-chlorohexyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 62227452
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992

Frequently Asked Questions

What is the IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 55089832) is 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine is C1COC(CNCCN2CCOC3CCCC32)C1.
What is the InChIKey of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is RAPVOOVQOGSOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-4-13-14(5-1)18-10-8-16(13)7-6-15-11-12-3-2-9-17-12/h12-15H,1-11H2.
What are the key properties of 2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine?
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 254.37 g/mol, XLogP of 1.01, 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-yl)-N-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 55089832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).