azane;bis(octadecane);hydrobromide

C36H80BrN — CID 174053735

IUPACazane;bis(octadecane);hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC.N
InChIInChI=1S/2C18H38.BrH.H3N/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h2*3-18H2,1-2H3;1H;1H3
InChIKeyCIPSYTQBCQCCJD-UHFFFAOYSA-N
MW606.95 g/mol
LogP15.28
Rot. Bonds30

About azane;bis(octadecane);hydrobromide

azane;bis(octadecane);hydrobromide (PubChem CID 174053735) has the molecular formula C36H80BrN and a molecular weight of 606.95 g/mol. Its IUPAC name is azane;bis(octadecane);hydrobromide.

Molecular Properties

Compound Nameazane;bis(octadecane);hydrobromide
PubChem CID174053735
Molecular FormulaC36H80BrN
Molecular Weight606.95 g/mol
Exact Mass605.55
IUPAC Nameazane;bis(octadecane);hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC.N
InChIInChI=1S/2C18H38.BrH.H3N/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h2*3-18H2,1-2H3;1H;1H3
InChIKeyCIPSYTQBCQCCJD-UHFFFAOYSA-N
XLogP15.28
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.95
LogP ≤ 515.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

undecane;dihydrobromide
CID 172838591
azane;docosane;methane
CID 175254385
azane;methane;undecane
CID 159407970
azane;tritriacontane;hydrochloride
CID 174841743
icosane;phosphane;hydrobromide
CID 172836983
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649

Frequently Asked Questions

What is the IUPAC name of azane;bis(octadecane);hydrobromide?
The IUPAC name of azane;bis(octadecane);hydrobromide (CID 174053735) is azane;bis(octadecane);hydrobromide.
What is the SMILES notation for azane;bis(octadecane);hydrobromide?
The canonical SMILES for azane;bis(octadecane);hydrobromide is Br.CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC.N.
What is the InChIKey of azane;bis(octadecane);hydrobromide?
The InChIKey is CIPSYTQBCQCCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H38.BrH.H3N/c2*1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2;;/h2*3-18H2,1-2H3;1H;1H3.
What are the key properties of azane;bis(octadecane);hydrobromide?
azane;bis(octadecane);hydrobromide has a molecular weight of 606.95 g/mol, XLogP of 15.28, 30 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;bis(octadecane);hydrobromide is sourced from PubChem (CID 174053735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).