azane;2-bromo-2-octylmorpholine

C12H27BrN2O — CID 174988461

IUPACazane;2-bromo-2-octylmorpholine
SMILESCCCCCCCCC1(Br)CNCCO1.N
InChIInChI=1S/C12H24BrNO.H3N/c1-2-3-4-5-6-7-8-12(13)11-14-9-10-15-12;/h14H,2-11H2,1H3;1H3
InChIKeyQQQOMQLCNRSJQI-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.61
Rot. Bonds7

About azane;2-bromo-2-octylmorpholine

azane;2-bromo-2-octylmorpholine (PubChem CID 174988461) has the molecular formula C12H27BrN2O and a molecular weight of 295.26 g/mol. Its IUPAC name is azane;2-bromo-2-octylmorpholine.

Molecular Properties

Compound Nameazane;2-bromo-2-octylmorpholine
PubChem CID174988461
Molecular FormulaC12H27BrN2O
Molecular Weight295.26 g/mol
Exact Mass294.13
IUPAC Nameazane;2-bromo-2-octylmorpholine
SMILESCCCCCCCCC1(Br)CNCCO1.N
InChIInChI=1S/C12H24BrNO.H3N/c1-2-3-4-5-6-7-8-12(13)11-14-9-10-15-12;/h14H,2-11H2,1H3;1H3
InChIKeyQQQOMQLCNRSJQI-UHFFFAOYSA-N
XLogP3.61
TPSA56.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azane;2-bromo-2-octylmorpholine with MolForge

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

Launch Full Analysis

Related Compounds

2,2-didodecylmorpholine;hydrofluoride
CID 173000581
2-dodecyl-2-methylmorpholine;hydrobromide
CID 173402578
2-ethyl-2-octylmorpholine;hydrate;hydrochloride
CID 67566490
1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide
CID 173370382
2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
CID 142640587
1-(2-pentylmorpholin-2-yl)propan-1-amine
CID 174330339
1-(2-octadecan-2-ylmorpholin-2-yl)ethanamine
CID 174791741
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
1-bromotridecane;morpholine
CID 174895242
2-hexyl-1,2-dimethylpiperazine
CID 145382864

Frequently Asked Questions

What is the IUPAC name of azane;2-bromo-2-octylmorpholine?
The IUPAC name of azane;2-bromo-2-octylmorpholine (CID 174988461) is azane;2-bromo-2-octylmorpholine.
What is the SMILES notation for azane;2-bromo-2-octylmorpholine?
The canonical SMILES for azane;2-bromo-2-octylmorpholine is CCCCCCCCC1(Br)CNCCO1.N.
What is the InChIKey of azane;2-bromo-2-octylmorpholine?
The InChIKey is QQQOMQLCNRSJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO.H3N/c1-2-3-4-5-6-7-8-12(13)11-14-9-10-15-12;/h14H,2-11H2,1H3;1H3.
What are the key properties of azane;2-bromo-2-octylmorpholine?
azane;2-bromo-2-octylmorpholine has a molecular weight of 295.26 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-bromo-2-octylmorpholine is sourced from PubChem (CID 174988461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).