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

C12H24N2O2 — CID 64818673

IUPAC4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol
SMILESCC(O)(CN)CCN1CCOC2CCCC21
InChIInChI=1S/C12H24N2O2/c1-12(15,9-13)5-6-14-7-8-16-11-4-2-3-10(11)14/h10-11,15H,2-9,13H2,1H3
InChIKeyHUYHTZLCQQQJET-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.34
Rot. Bonds4

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

4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol (PubChem CID 64818673) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol
PubChem CID64818673
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol
SMILESCC(O)(CN)CCN1CCOC2CCCC21
InChIInChI=1S/C12H24N2O2/c1-12(15,9-13)5-6-14-7-8-16-11-4-2-3-10(11)14/h10-11,15H,2-9,13H2,1H3
InChIKeyHUYHTZLCQQQJET-UHFFFAOYSA-N
XLogP0.34
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol?
The IUPAC name of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol (CID 64818673) is 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol.
What is the SMILES notation for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol?
The canonical SMILES for 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol is CC(O)(CN)CCN1CCOC2CCCC21.
What is the InChIKey of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol?
The InChIKey is HUYHTZLCQQQJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(15,9-13)5-6-14-7-8-16-11-4-2-3-10(11)14/h10-11,15H,2-9,13H2,1H3.
What are the key properties of 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol?
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol has a molecular weight of 228.34 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 4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylbutan-2-ol is sourced from PubChem (CID 64818673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).