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

C15H27N3O2 — CID 63909188

IUPAC3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(ethylamino)propanamide
SMILESCCNC(CN1CCOC2CCCC21)(C(N)=O)C1CC1
InChIInChI=1S/C15H27N3O2/c1-2-17-15(14(16)19,11-6-7-11)10-18-8-9-20-13-5-3-4-12(13)18/h11-13,17H,2-10H2,1H3,(H2,16,19)
InChIKeyHZHUHMHFGZAITN-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.48
Rot. Bonds6

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

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(ethylamino)propanamide (PubChem CID 63909188) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 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-(ethylamino)propanamide.

Molecular Properties

Compound Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(ethylamino)propanamide
PubChem CID63909188
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(ethylamino)propanamide
SMILESCCNC(CN1CCOC2CCCC21)(C(N)=O)C1CC1
InChIInChI=1S/C15H27N3O2/c1-2-17-15(14(16)19,11-6-7-11)10-18-8-9-20-13-5-3-4-12(13)18/h11-13,17H,2-10H2,1H3,(H2,16,19)
InChIKeyHZHUHMHFGZAITN-UHFFFAOYSA-N
XLogP0.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.48
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-(methylamino)propanamide
CID 63909581
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-cyclopropyl-2-(ethylamino)propanamide
CID 82753521
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-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-cyclopropyl-2-(ethylamino)propanamide
CID 113336080
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-(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-(2,2-dimethylmorpholin-4-yl)-2-(ethylamino)propanamide
CID 63911117
5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-ethyl-2-(ethylamino)pentan-1-ol
CID 106809456
2-cyclopropyl-3-(1,3-dihydroisoindol-2-yl)-2-(ethylamino)propanamide
CID 63925390
2-cyclopropyl-2-(ethylamino)-3-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 63911898
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylpropan-1-amine
CID 62259530
2-cyclopropyl-2-(ethylamino)-3-(4-ethyl-4-methylpiperidin-1-yl)propanamide
CID 63925013

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-(ethylamino)propanamide?
The IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(ethylamino)propanamide (CID 63909188) is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(ethylamino)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-(ethylamino)propanamide?
The canonical SMILES for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(ethylamino)propanamide is CCNC(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-(ethylamino)propanamide?
The InChIKey is HZHUHMHFGZAITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-17-15(14(16)19,11-6-7-11)10-18-8-9-20-13-5-3-4-12(13)18/h11-13,17H,2-10H2,1H3,(H2,16,19).
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-(ethylamino)propanamide?
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(ethylamino)propanamide has a molecular weight of 281.40 g/mol, XLogP of 0.48, 6 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-(ethylamino)propanamide is sourced from PubChem (CID 63909188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).