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

C14H28N2O2 — CID 64819113

IUPAC6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol
SMILESCC(O)(CN)CCCCN1CCOC2CCCC21
InChIInChI=1S/C14H28N2O2/c1-14(17,11-15)7-2-3-8-16-9-10-18-13-6-4-5-12(13)16/h12-13,17H,2-11,15H2,1H3
InChIKeyNXPPEAYCPORBSF-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.12
Rot. Bonds6

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

6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol (PubChem CID 64819113) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol.

Molecular Properties

Compound Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol
PubChem CID64819113
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol
SMILESCC(O)(CN)CCCCN1CCOC2CCCC21
InChIInChI=1S/C14H28N2O2/c1-14(17,11-15)7-2-3-8-16-9-10-18-13-6-4-5-12(13)16/h12-13,17H,2-11,15H2,1H3
InChIKeyNXPPEAYCPORBSF-UHFFFAOYSA-N
XLogP1.12
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol?
The IUPAC name of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol (CID 64819113) is 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol.
What is the SMILES notation for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol?
The canonical SMILES for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol is CC(O)(CN)CCCCN1CCOC2CCCC21.
What is the InChIKey of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol?
The InChIKey is NXPPEAYCPORBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(17,11-15)7-2-3-8-16-9-10-18-13-6-4-5-12(13)16/h12-13,17H,2-11,15H2,1H3.
What are the key properties of 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol?
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol has a molecular weight of 256.39 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-1-amino-2-methylhexan-2-ol is sourced from PubChem (CID 64819113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).