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

C14H27N3O2 — CID 66428466

IUPAC3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCOC2CCCC21
InChIInChI=1S/C14H27N3O2/c1-2-6-16-14(18)9-11(10-15)17-7-8-19-13-5-3-4-12(13)17/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyBBQYPVZRKQUMIY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.48
Rot. Bonds6

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

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide (PubChem CID 66428466) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide.

Molecular Properties

Compound Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide
PubChem CID66428466
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide
SMILESCCCNC(=O)CC(CN)N1CCOC2CCCC21
InChIInChI=1S/C14H27N3O2/c1-2-6-16-14(18)9-11(10-15)17-7-8-19-13-5-3-4-12(13)17/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyBBQYPVZRKQUMIY-UHFFFAOYSA-N
XLogP0.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide with MolForge

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Related Compounds

3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-amino-N-ethylbutanamide
CID 66429077
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-propylbutanamide
CID 66429305
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-amino-N-propylbutanamide
CID 82747117
4-amino-N-propyl-3-(2-propylpiperidin-1-yl)butanamide
CID 83053457
4-amino-3-(2-methyl-1,4-oxazepan-4-yl)-N-propylbutanamide
CID 66428883
4-amino-3-(3-methylthiomorpholin-4-yl)-N-propylbutanamide
CID 66427407
4-amino-3-(4-methylpiperidin-1-yl)-N-propylbutanamide
CID 66428450
4-amino-3-(2,4-dimethylpiperazin-1-yl)-N-propylbutanamide
CID 114086546
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-aminopropanoic acid
CID 64694403
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-4-amino-N-methylbutanamide
CID 66428846
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)butanehydrazide
CID 63583792
(4aR,7aR)-4-propan-2-yl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 170523770

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)-4-amino-N-propylbutanamide?
The IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide (CID 66428466) is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide.
What is the SMILES notation for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide?
The canonical SMILES for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide is CCCNC(=O)CC(CN)N1CCOC2CCCC21.
What is the InChIKey of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide?
The InChIKey is BBQYPVZRKQUMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-2-6-16-14(18)9-11(10-15)17-7-8-19-13-5-3-4-12(13)17/h11-13H,2-10,15H2,1H3,(H,16,18).
What are the key properties of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide?
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-amino-N-propylbutanamide has a molecular weight of 269.39 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)-4-amino-N-propylbutanamide is sourced from PubChem (CID 66428466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).