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

C14H25N3O2 — CID 63909581

IUPAC3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide
SMILESCNC(CN1CCOC2CCCC21)(C(N)=O)C1CC1
InChIInChI=1S/C14H25N3O2/c1-16-14(13(15)18,10-5-6-10)9-17-7-8-19-12-4-2-3-11(12)17/h10-12,16H,2-9H2,1H3,(H2,15,18)
InChIKeyASPSOXQTXGTKPF-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.09
Rot. Bonds5

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

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide (PubChem CID 63909581) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide.

Molecular Properties

Compound Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide
PubChem CID63909581
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide
SMILESCNC(CN1CCOC2CCCC21)(C(N)=O)C1CC1
InChIInChI=1S/C14H25N3O2/c1-16-14(13(15)18,10-5-6-10)9-17-7-8-19-12-4-2-3-11(12)17/h10-12,16H,2-9H2,1H3,(H2,15,18)
InChIKeyASPSOXQTXGTKPF-UHFFFAOYSA-N
XLogP0.09
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.09
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)-2-cyclopropyl-2-(ethylamino)propanamide
CID 63909188
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol
CID 64819339
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,2-dimethylpropan-1-amine
CID 62259048
2-cyclopropyl-3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propanamide
CID 63926002
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide
CID 82753521
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(propan-2-ylamino)propan-1-ol
CID 64826996
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylpropan-1-amine
CID 62259530
methyl 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-bromopropanoate
CID 81100260
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(methylamino)butanamide
CID 63053086
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3,3-dimethylbutan-2-ol
CID 66452835
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-methylpropanehydrazide
CID 63585088
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methylbut-2-enoic acid
CID 77006068

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)-2-cyclopropyl-2-(methylamino)propanamide?
The IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide (CID 63909581) is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide.
What is the SMILES notation for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide?
The canonical SMILES for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide is CNC(CN1CCOC2CCCC21)(C(N)=O)C1CC1.
What is the InChIKey of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide?
The InChIKey is ASPSOXQTXGTKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-16-14(13(15)18,10-5-6-10)9-17-7-8-19-12-4-2-3-11(12)17/h10-12,16H,2-9H2,1H3,(H2,15,18).
What are the key properties of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide?
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propanamide has a molecular weight of 267.37 g/mol, XLogP of 0.09, 5 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)-2-cyclopropyl-2-(methylamino)propanamide is sourced from PubChem (CID 63909581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).