N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine

C12H24N2O — CID 20523788

IUPACN-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCCCCCCNC1=NCCCO1
InChIInChI=1S/C12H24N2O/c1-2-3-4-5-6-7-9-13-12-14-10-8-11-15-12/h2-11H2,1H3,(H,13,14)
InChIKeyYVGZINMUHDNWNL-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.71
Rot. Bonds7

About N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine

N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine (PubChem CID 20523788) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine.

Molecular Properties

Compound NameN-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine
PubChem CID20523788
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCCCCCCNC1=NCCCO1
InChIInChI=1S/C12H24N2O/c1-2-3-4-5-6-7-9-13-12-14-10-8-11-15-12/h2-11H2,1H3,(H,13,14)
InChIKeyYVGZINMUHDNWNL-UHFFFAOYSA-N
XLogP2.71
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The IUPAC name of N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine (CID 20523788) is N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine.
What is the SMILES notation for N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The canonical SMILES for N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine is CCCCCCCCNC1=NCCCO1.
What is the InChIKey of N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The InChIKey is YVGZINMUHDNWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-2-3-4-5-6-7-9-13-12-14-10-8-11-15-12/h2-11H2,1H3,(H,13,14).
What are the key properties of N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine has a molecular weight of 212.34 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-5,6-dihydro-4H-1,3-oxazin-2-amine is sourced from PubChem (CID 20523788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).