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

C13H24N2O2 — CID 64819339

IUPAC1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol
SMILESNCC(O)(CN1CCOC2CCCC21)C1CC1
InChIInChI=1S/C13H24N2O2/c14-8-13(16,10-4-5-10)9-15-6-7-17-12-3-1-2-11(12)15/h10-12,16H,1-9,14H2
InChIKeyICZHMDWKNNHUBK-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.34
Rot. Bonds4

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

1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol (PubChem CID 64819339) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol
PubChem CID64819339
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol
SMILESNCC(O)(CN1CCOC2CCCC21)C1CC1
InChIInChI=1S/C13H24N2O2/c14-8-13(16,10-4-5-10)9-15-6-7-17-12-3-1-2-11(12)15/h10-12,16H,1-9,14H2
InChIKeyICZHMDWKNNHUBK-UHFFFAOYSA-N
XLogP0.34
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol?
The IUPAC name of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol (CID 64819339) is 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol.
What is the SMILES notation for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol?
The canonical SMILES for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol is NCC(O)(CN1CCOC2CCCC21)C1CC1.
What is the InChIKey of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol?
The InChIKey is ICZHMDWKNNHUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-8-13(16,10-4-5-10)9-15-6-7-17-12-3-1-2-11(12)15/h10-12,16H,1-9,14H2.
What are the key properties of 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol?
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-amino-2-cyclopropylpropan-2-ol is sourced from PubChem (CID 64819339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).