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

C7H14N2O — CID 20523857

IUPACN-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCNC1=NCCCO1
InChIInChI=1S/C7H14N2O/c1-2-4-8-7-9-5-3-6-10-7/h2-6H2,1H3,(H,8,9)
InChIKeyJMIXNLXGCWIHMR-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.76
Rot. Bonds2

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

N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine (PubChem CID 20523857) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine.

Molecular Properties

Compound NameN-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine
PubChem CID20523857
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCNC1=NCCCO1
InChIInChI=1S/C7H14N2O/c1-2-4-8-7-9-5-3-6-10-7/h2-6H2,1H3,(H,8,9)
InChIKeyJMIXNLXGCWIHMR-UHFFFAOYSA-N
XLogP0.76
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The IUPAC name of N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine (CID 20523857) is N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine.
What is the SMILES notation for N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The canonical SMILES for N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine is CCCNC1=NCCCO1.
What is the InChIKey of N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The InChIKey is JMIXNLXGCWIHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-4-8-7-9-5-3-6-10-7/h2-6H2,1H3,(H,8,9).
What are the key properties of N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine has a molecular weight of 142.20 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5,6-dihydro-4H-1,3-oxazin-2-amine is sourced from PubChem (CID 20523857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).