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

C17H32N2O2 — CID 79912796

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCNC1C(CN2CCOC3CCCC32)C(C)(C)OC1(C)C
InChIInChI=1S/C17H32N2O2/c1-16(2)12(15(18-5)17(3,4)21-16)11-19-9-10-20-14-8-6-7-13(14)19/h12-15,18H,6-11H2,1-5H3
InChIKeyJSPSATRMSNDIKD-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.03
Rot. Bonds3

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

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 79912796) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID79912796
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCNC1C(CN2CCOC3CCCC32)C(C)(C)OC1(C)C
InChIInChI=1S/C17H32N2O2/c1-16(2)12(15(18-5)17(3,4)21-16)11-19-9-10-20-14-8-6-7-13(14)19/h12-15,18H,6-11H2,1-5H3
InChIKeyJSPSATRMSNDIKD-UHFFFAOYSA-N
XLogP2.03
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine with MolForge

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Related Compounds

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 82751941
N,2,2,5,5-pentamethyl-4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]oxolan-3-amine
CID 102886586
1-[[2,2,5,5-tetramethyl-4-(methylamino)oxolan-3-yl]methyl]pyrrolidin-3-ol
CID 79933882
4-(oxolan-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 84583277
4-(oxan-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 71940074
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,2-dimethylpropan-1-amine
CID 62259048
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethylcycloheptan-1-amine
CID 62608931
N,2,2,5,5-pentamethyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine
CID 79933879
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N-ethyloxan-4-amine
CID 103059310
4-[(2-methylpiperidin-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 106741006
methyl 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-bromopropanoate
CID 81100260
(4aR,7aS)-4-(2,2-difluoroethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 131038084

Frequently Asked Questions

What is the IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine (CID 79912796) is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine is CNC1C(CN2CCOC3CCCC32)C(C)(C)OC1(C)C.
What is the InChIKey of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is JSPSATRMSNDIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-16(2)12(15(18-5)17(3,4)21-16)11-19-9-10-20-14-8-6-7-13(14)19/h12-15,18H,6-11H2,1-5H3.
What are the key properties of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine?
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 296.46 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 79912796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).