azane;4-dodecyl-2-methylmorpholine;hydrobromide

C17H39BrN2O — CID 174921468

IUPACazane;4-dodecyl-2-methylmorpholine;hydrobromide
SMILESBr.CCCCCCCCCCCCN1CCOC(C)C1.N
InChIInChI=1S/C17H35NO.BrH.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19-17(2)16-18;;/h17H,3-16H2,1-2H3;1H;1H3
InChIKeyIWVSFSLRLHJHPY-UHFFFAOYSA-N
MW367.42 g/mol
LogP5.37
Rot. Bonds11

About azane;4-dodecyl-2-methylmorpholine;hydrobromide

azane;4-dodecyl-2-methylmorpholine;hydrobromide (PubChem CID 174921468) has the molecular formula C17H39BrN2O and a molecular weight of 367.42 g/mol. Its IUPAC name is azane;4-dodecyl-2-methylmorpholine;hydrobromide.

Molecular Properties

Compound Nameazane;4-dodecyl-2-methylmorpholine;hydrobromide
PubChem CID174921468
Molecular FormulaC17H39BrN2O
Molecular Weight367.42 g/mol
Exact Mass366.22
IUPAC Nameazane;4-dodecyl-2-methylmorpholine;hydrobromide
SMILESBr.CCCCCCCCCCCCN1CCOC(C)C1.N
InChIInChI=1S/C17H35NO.BrH.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19-17(2)16-18;;/h17H,3-16H2,1-2H3;1H;1H3
InChIKeyIWVSFSLRLHJHPY-UHFFFAOYSA-N
XLogP5.37
TPSA47.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.42
LogP ≤ 55.37
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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Related Compounds

azane;4-dodecyl-2-methylmorpholine;fluorophosphonic acid
CID 174921461
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
4-dodecyl-2-ethylmorpholine
CID 4616518
(2S)-2-butyl-4-decylmorpholine
CID 98152093
(4-dodecylmorpholin-2-yl)methanamine
CID 63486829
2-(chloromethyl)-4-heptylmorpholine
CID 81213546
4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
CID 75481844
2,6-dimethyl-4-tritriacontylmorpholine
CID 150123657
4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
2-(chloromethyl)-4-pentylmorpholine
CID 81213679
N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine
CID 62967255
2,2-dimethyl-6-(2-methylmorpholin-4-yl)hexan-1-amine
CID 106707845

Frequently Asked Questions

What is the IUPAC name of azane;4-dodecyl-2-methylmorpholine;hydrobromide?
The IUPAC name of azane;4-dodecyl-2-methylmorpholine;hydrobromide (CID 174921468) is azane;4-dodecyl-2-methylmorpholine;hydrobromide.
What is the SMILES notation for azane;4-dodecyl-2-methylmorpholine;hydrobromide?
The canonical SMILES for azane;4-dodecyl-2-methylmorpholine;hydrobromide is Br.CCCCCCCCCCCCN1CCOC(C)C1.N.
What is the InChIKey of azane;4-dodecyl-2-methylmorpholine;hydrobromide?
The InChIKey is IWVSFSLRLHJHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO.BrH.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19-17(2)16-18;;/h17H,3-16H2,1-2H3;1H;1H3.
What are the key properties of azane;4-dodecyl-2-methylmorpholine;hydrobromide?
azane;4-dodecyl-2-methylmorpholine;hydrobromide has a molecular weight of 367.42 g/mol, XLogP of 5.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-dodecyl-2-methylmorpholine;hydrobromide is sourced from PubChem (CID 174921468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).