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

C11H22N2O — CID 20523818

IUPACN-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCCCCCNC1=NCCCO1
InChIInChI=1S/C11H22N2O/c1-2-3-4-5-6-8-12-11-13-9-7-10-14-11/h2-10H2,1H3,(H,12,13)
InChIKeyYQBADVVUKKBAEO-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.32
Rot. Bonds6

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

N-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine (PubChem CID 20523818) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine.

Molecular Properties

Compound NameN-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine
PubChem CID20523818
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine
SMILESCCCCCCCNC1=NCCCO1
InChIInChI=1S/C11H22N2O/c1-2-3-4-5-6-8-12-11-13-9-7-10-14-11/h2-10H2,1H3,(H,12,13)
InChIKeyYQBADVVUKKBAEO-UHFFFAOYSA-N
XLogP2.32
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.32
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-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The IUPAC name of N-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine (CID 20523818) is N-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine.
What is the SMILES notation for N-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The canonical SMILES for N-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine is CCCCCCCNC1=NCCCO1.
What is the InChIKey of N-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
The InChIKey is YQBADVVUKKBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-2-3-4-5-6-8-12-11-13-9-7-10-14-11/h2-10H2,1H3,(H,12,13).
What are the key properties of N-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine?
N-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine has a molecular weight of 198.31 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-5,6-dihydro-4H-1,3-oxazin-2-amine is sourced from PubChem (CID 20523818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).