[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol

C17H32N2O2 — CID 79635678

IUPAC[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(N2CCOC3CCCC32)C1
InChIInChI=1S/C17H32N2O2/c1-13(2)18-17(12-20)8-4-5-14(11-17)19-9-10-21-16-7-3-6-15(16)19/h13-16,18,20H,3-12H2,1-2H3
InChIKeySWYSIESKVNEHOI-UHFFFAOYSA-N
MW296.45 g/mol
LogP1.91
Rot. Bonds4

About [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol

[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79635678) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79635678
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCC(C)NC1(CO)CCCC(N2CCOC3CCCC32)C1
InChIInChI=1S/C17H32N2O2/c1-13(2)18-17(12-20)8-4-5-14(11-17)19-9-10-21-16-7-3-6-15(16)19/h13-16,18,20H,3-12H2,1-2H3
InChIKeySWYSIESKVNEHOI-UHFFFAOYSA-N
XLogP1.91
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol with MolForge

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Related Compounds

[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol
CID 79640787
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol
CID 79640625
[3-(2-methylmorpholin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635044
[3-(2,4-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634359
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640172
[1-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)cyclohexyl]methanol
CID 83046688
[3-(3-methylpiperidin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635370
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79647421
[3-(3,4-dimethylpiperazin-1-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79634525
[3-(2,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656392
[3-(2,5-dimethylmorpholin-4-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79656040
[3-(4-methylsulfonylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79647012

Frequently Asked Questions

What is the IUPAC name of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79635678) is [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol is CC(C)NC1(CO)CCCC(N2CCOC3CCCC32)C1.
What is the InChIKey of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is SWYSIESKVNEHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(2)18-17(12-20)8-4-5-14(11-17)19-9-10-21-16-7-3-6-15(16)19/h13-16,18,20H,3-12H2,1-2H3.
What are the key properties of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 296.45 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 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-yl)-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79635678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).