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

C14H26N2O2 — CID 64825737

IUPAC3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN1CCOC2CCCC21)C1CC1
InChIInChI=1S/C14H26N2O2/c1-15-14(10-17,11-5-6-11)9-16-7-8-18-13-4-2-3-12(13)16/h11-13,15,17H,2-10H2,1H3
InChIKeyJUAFTWJZTOLECW-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.60
Rot. Bonds5

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

3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol (PubChem CID 64825737) 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)-2-cyclopropyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol
PubChem CID64825737
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN1CCOC2CCCC21)C1CC1
InChIInChI=1S/C14H26N2O2/c1-15-14(10-17,11-5-6-11)9-16-7-8-18-13-4-2-3-12(13)16/h11-13,15,17H,2-10H2,1H3
InChIKeyJUAFTWJZTOLECW-UHFFFAOYSA-N
XLogP0.60
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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)propan-1-ol?
The IUPAC name of 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol (CID 64825737) is 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol.
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)propan-1-ol?
The canonical SMILES for 3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol is CNC(CO)(CN1CCOC2CCCC21)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)propan-1-ol?
The InChIKey is JUAFTWJZTOLECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15-14(10-17,11-5-6-11)9-16-7-8-18-13-4-2-3-12(13)16/h11-13,15,17H,2-10H2,1H3.
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)propan-1-ol?
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-cyclopropyl-2-(methylamino)propan-1-ol has a molecular weight of 254.37 g/mol, XLogP of 0.60, 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)propan-1-ol is sourced from PubChem (CID 64825737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).