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

C9H18N2O — CID 20523790

IUPACN-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCCCNC1=NCCCO1
InChIInChI=1S/C9H18N2O/c1-2-3-4-6-10-9-11-7-5-8-12-9/h2-8H2,1H3,(H,10,11)
InChIKeyOEPLZGGOTKTANY-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.54
Rot. Bonds4

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

N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine (PubChem CID 20523790) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine.

Molecular Properties

Compound NameN-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine
PubChem CID20523790
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCCCNC1=NCCCO1
InChIInChI=1S/C9H18N2O/c1-2-3-4-6-10-9-11-7-5-8-12-9/h2-8H2,1H3,(H,10,11)
InChIKeyOEPLZGGOTKTANY-UHFFFAOYSA-N
XLogP1.54
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The IUPAC name of N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine (CID 20523790) is N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine.
What is the SMILES notation for N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The canonical SMILES for N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine is CCCCCNC1=NCCCO1.
What is the InChIKey of N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The InChIKey is OEPLZGGOTKTANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-3-4-6-10-9-11-7-5-8-12-9/h2-8H2,1H3,(H,10,11).
What are the key properties of N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine has a molecular weight of 170.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-5,6-dihydro-4H-1,3-oxazin-2-amine is sourced from PubChem (CID 20523790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).