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

C16H30N2O2 — CID 79640787

IUPAC[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(N2CCOC3CCCC32)C1
InChIInChI=1S/C16H30N2O2/c1-2-17-16(12-19)8-4-5-13(11-16)18-9-10-20-15-7-3-6-14(15)18/h13-15,17,19H,2-12H2,1H3
InChIKeyWJPBSUDNZQEZDX-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.52
Rot. Bonds4

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

[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol (PubChem CID 79640787) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol
PubChem CID79640787
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(N2CCOC3CCCC32)C1
InChIInChI=1S/C16H30N2O2/c1-2-17-16(12-19)8-4-5-13(11-16)18-9-10-20-15-7-3-6-14(15)18/h13-15,17,19H,2-12H2,1H3
InChIKeyWJPBSUDNZQEZDX-UHFFFAOYSA-N
XLogP1.52
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.52
H-Bond Donors ≤ 52
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-yl)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79635678
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-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol
CID 79640625
[1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclohexyl]methanol
CID 79633807
[3-(2,5-dimethylpiperidin-1-yl)-1-(ethylamino)cyclohexyl]methanol
CID 79640098
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(methylamino)cyclohexyl]methanol
CID 79640172
[1-(ethylamino)-3-(3-methylmorpholin-4-yl)cyclopentyl]methanol
CID 79655799
[1-(ethylamino)-3-(4-methoxypiperidin-1-yl)cyclohexyl]methanol
CID 79640451
[1-(ethylamino)-3-(2-ethylpyrrolidin-1-yl)cyclopentyl]methanol
CID 79656929
[1-(ethylamino)-3-(2-methylpiperidin-1-yl)cyclopentyl]methanol
CID 79656519
[1-(ethylamino)-3-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanol
CID 79640319
ethyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxylate
CID 79647422

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-(ethylamino)cyclohexyl]methanol?
The IUPAC name of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol (CID 79640787) is [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)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-(ethylamino)cyclohexyl]methanol?
The canonical SMILES for [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol is CCNC1(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-(ethylamino)cyclohexyl]methanol?
The InChIKey is WJPBSUDNZQEZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-17-16(12-19)8-4-5-13(11-16)18-9-10-20-15-7-3-6-14(15)18/h13-15,17,19H,2-12H2,1H3.
What are the key properties of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol?
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclohexyl]methanol has a molecular weight of 282.43 g/mol, XLogP of 1.52, 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-(ethylamino)cyclohexyl]methanol is sourced from PubChem (CID 79640787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).