2-dodecyl-2-methylmorpholine;hydrobromide

C17H36BrNO — CID 173402578

IUPAC2-dodecyl-2-methylmorpholine;hydrobromide
SMILESBr.CCCCCCCCCCCCC1(C)CNCCO1
InChIInChI=1S/C17H35NO.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-17(2)16-18-14-15-19-17;/h18H,3-16H2,1-2H3;1H
InChIKeyRBOCGKXXFHDXOW-UHFFFAOYSA-N
MW350.39 g/mol
LogP5.25
Rot. Bonds11

About 2-dodecyl-2-methylmorpholine;hydrobromide

2-dodecyl-2-methylmorpholine;hydrobromide (PubChem CID 173402578) has the molecular formula C17H36BrNO and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-dodecyl-2-methylmorpholine;hydrobromide.

Molecular Properties

Compound Name2-dodecyl-2-methylmorpholine;hydrobromide
PubChem CID173402578
Molecular FormulaC17H36BrNO
Molecular Weight350.39 g/mol
Exact Mass349.20
IUPAC Name2-dodecyl-2-methylmorpholine;hydrobromide
SMILESBr.CCCCCCCCCCCCC1(C)CNCCO1
InChIInChI=1S/C17H35NO.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-17(2)16-18-14-15-19-17;/h18H,3-16H2,1-2H3;1H
InChIKeyRBOCGKXXFHDXOW-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.39
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
CID 142640587
2,2-didodecylmorpholine;hydrofluoride
CID 173000581
azane;2-bromo-2-octylmorpholine
CID 174988461
1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide
CID 173370382
2-ethyl-2-octylmorpholine;hydrate;hydrochloride
CID 67566490
2-hexyl-2-methyloxane
CID 67835603
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-icosyl-2-methyloxirane
CID 87753382
2-heptyl-2-methyloxolane
CID 66630336
[(2R)-2-methylmorpholin-2-yl]methanol
CID 162361659
(2-methylmorpholin-2-yl)methanol
CID 135262535

Frequently Asked Questions

What is the IUPAC name of 2-dodecyl-2-methylmorpholine;hydrobromide?
The IUPAC name of 2-dodecyl-2-methylmorpholine;hydrobromide (CID 173402578) is 2-dodecyl-2-methylmorpholine;hydrobromide.
What is the SMILES notation for 2-dodecyl-2-methylmorpholine;hydrobromide?
The canonical SMILES for 2-dodecyl-2-methylmorpholine;hydrobromide is Br.CCCCCCCCCCCCC1(C)CNCCO1.
What is the InChIKey of 2-dodecyl-2-methylmorpholine;hydrobromide?
The InChIKey is RBOCGKXXFHDXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-17(2)16-18-14-15-19-17;/h18H,3-16H2,1-2H3;1H.
What are the key properties of 2-dodecyl-2-methylmorpholine;hydrobromide?
2-dodecyl-2-methylmorpholine;hydrobromide has a molecular weight of 350.39 g/mol, XLogP of 5.25, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecyl-2-methylmorpholine;hydrobromide is sourced from PubChem (CID 173402578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).