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

C10H20N2O — CID 20523799

IUPACN-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCCCCNC1=NCCCO1
InChIInChI=1S/C10H20N2O/c1-2-3-4-5-7-11-10-12-8-6-9-13-10/h2-9H2,1H3,(H,11,12)
InChIKeyMPELHDVTWSWIPH-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.93
Rot. Bonds5

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

N-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine (PubChem CID 20523799) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine.

Molecular Properties

Compound NameN-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine
PubChem CID20523799
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCCCCNC1=NCCCO1
InChIInChI=1S/C10H20N2O/c1-2-3-4-5-7-11-10-12-8-6-9-13-10/h2-9H2,1H3,(H,11,12)
InChIKeyMPELHDVTWSWIPH-UHFFFAOYSA-N
XLogP1.93
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hexyl-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-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The IUPAC name of N-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine (CID 20523799) is N-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine.
What is the SMILES notation for N-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The canonical SMILES for N-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine is CCCCCCNC1=NCCCO1.
What is the InChIKey of N-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The InChIKey is MPELHDVTWSWIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-3-4-5-7-11-10-12-8-6-9-13-10/h2-9H2,1H3,(H,11,12).
What are the key properties of N-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
N-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine has a molecular weight of 184.28 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5,6-dihydro-4H-1,3-oxazin-2-amine is sourced from PubChem (CID 20523799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).