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

C8H16N2O — CID 20523859

IUPACN-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCCNC1=NCCCO1
InChIInChI=1S/C8H16N2O/c1-2-3-5-9-8-10-6-4-7-11-8/h2-7H2,1H3,(H,9,10)
InChIKeyTVPOSUWLGCEKOV-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.15
Rot. Bonds3

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

N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine (PubChem CID 20523859) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine.

Molecular Properties

Compound NameN-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine
PubChem CID20523859
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCCNC1=NCCCO1
InChIInChI=1S/C8H16N2O/c1-2-3-5-9-8-10-6-4-7-11-8/h2-7H2,1H3,(H,9,10)
InChIKeyTVPOSUWLGCEKOV-UHFFFAOYSA-N
XLogP1.15
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.15
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-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The IUPAC name of N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine (CID 20523859) is N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine.
What is the SMILES notation for N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The canonical SMILES for N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine is CCCCNC1=NCCCO1.
What is the InChIKey of N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The InChIKey is TVPOSUWLGCEKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-5-9-8-10-6-4-7-11-8/h2-7H2,1H3,(H,9,10).
What are the key properties of N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine has a molecular weight of 156.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5,6-dihydro-4H-1,3-oxazin-2-amine is sourced from PubChem (CID 20523859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).