9-(1,3-oxazol-5-yl)nonan-1-amine

C12H22N2O — CID 150184570

IUPAC9-(1,3-oxazol-5-yl)nonan-1-amine
SMILESNCCCCCCCCCc1cnco1
InChIInChI=1S/C12H22N2O/c13-9-7-5-3-1-2-4-6-8-12-10-14-11-15-12/h10-11H,1-9,13H2
InChIKeyFMDFHUAUAZWNPZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.91
Rot. Bonds9

About 9-(1,3-oxazol-5-yl)nonan-1-amine

9-(1,3-oxazol-5-yl)nonan-1-amine (PubChem CID 150184570) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 9-(1,3-oxazol-5-yl)nonan-1-amine.

Molecular Properties

Compound Name9-(1,3-oxazol-5-yl)nonan-1-amine
PubChem CID150184570
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name9-(1,3-oxazol-5-yl)nonan-1-amine
SMILESNCCCCCCCCCc1cnco1
InChIInChI=1S/C12H22N2O/c13-9-7-5-3-1-2-4-6-8-12-10-14-11-15-12/h10-11H,1-9,13H2
InChIKeyFMDFHUAUAZWNPZ-UHFFFAOYSA-N
XLogP2.91
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.91
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 9-(1,3-oxazol-5-yl)nonan-1-amine?
The IUPAC name of 9-(1,3-oxazol-5-yl)nonan-1-amine (CID 150184570) is 9-(1,3-oxazol-5-yl)nonan-1-amine.
What is the SMILES notation for 9-(1,3-oxazol-5-yl)nonan-1-amine?
The canonical SMILES for 9-(1,3-oxazol-5-yl)nonan-1-amine is NCCCCCCCCCc1cnco1.
What is the InChIKey of 9-(1,3-oxazol-5-yl)nonan-1-amine?
The InChIKey is FMDFHUAUAZWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c13-9-7-5-3-1-2-4-6-8-12-10-14-11-15-12/h10-11H,1-9,13H2.
What are the key properties of 9-(1,3-oxazol-5-yl)nonan-1-amine?
9-(1,3-oxazol-5-yl)nonan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-oxazol-5-yl)nonan-1-amine is sourced from PubChem (CID 150184570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).