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

C14H26N2O2 — CID 79640625

IUPAC[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol
SMILESNC1(CO)CCCC(N2CCOC3CCCC32)C1
InChIInChI=1S/C14H26N2O2/c15-14(10-17)6-2-3-11(9-14)16-7-8-18-13-5-1-4-12(13)16/h11-13,17H,1-10,15H2
InChIKeyVRHYSUDOWOGPCK-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.87
Rot. Bonds2

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

[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol (PubChem CID 79640625) 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-yl)-1-aminocyclohexyl]methanol.

Molecular Properties

Compound Name[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol
PubChem CID79640625
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-yl)-1-aminocyclohexyl]methanol
SMILESNC1(CO)CCCC(N2CCOC3CCCC32)C1
InChIInChI=1S/C14H26N2O2/c15-14(10-17)6-2-3-11(9-14)16-7-8-18-13-5-1-4-12(13)16/h11-13,17H,1-10,15H2
InChIKeyVRHYSUDOWOGPCK-UHFFFAOYSA-N
XLogP0.87
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-amino-3-(2-cyclopentylpyrrolidin-1-yl)cyclohexyl]methanol
CID 79640087
[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-(propan-2-ylamino)cyclohexyl]methanol
CID 79635678
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxamide
CID 79655518
[3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-aminocyclopentyl]methanol
CID 82751207
ethyl 3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-aminocyclopentane-1-carboxylate
CID 79647422
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79647421
[1-amino-3-(2,5-dimethylpiperidin-1-yl)cyclohexyl]methanol
CID 79641278
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclobutane-1-carboxylic acid
CID 80997581
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(1-aminocyclohexyl)ethanone
CID 64677938
(3-amino-1-cyclopentylpiperidin-3-yl)methanol
CID 115021565
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)cyclopentan-1-one
CID 79644213

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-aminocyclohexyl]methanol?
The IUPAC name of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol (CID 79640625) is [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol.
What is the SMILES notation for [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol?
The canonical SMILES for [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol is 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-aminocyclohexyl]methanol?
The InChIKey is VRHYSUDOWOGPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-14(10-17)6-2-3-11(9-14)16-7-8-18-13-5-1-4-12(13)16/h11-13,17H,1-10,15H2.
What are the key properties of [3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol?
[3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-aminocyclohexyl]methanol has a molecular weight of 254.37 g/mol, XLogP of 0.87, 2 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-aminocyclohexyl]methanol is sourced from PubChem (CID 79640625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).