hexadecane;N-methylmethanamine;hydrobromide

C18H42BrN — CID 174351414

IUPAChexadecane;N-methylmethanamine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC.CNC
InChIInChI=1S/C16H34.C2H7N.BrH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-2;/h3-16H2,1-2H3;3H,1-2H3;1H
InChIKeyADRXJGROZCFCQZ-UHFFFAOYSA-N
MW352.45 g/mol
LogP6.90
Rot. Bonds13

About hexadecane;N-methylmethanamine;hydrobromide

hexadecane;N-methylmethanamine;hydrobromide (PubChem CID 174351414) has the molecular formula C18H42BrN and a molecular weight of 352.45 g/mol. Its IUPAC name is hexadecane;N-methylmethanamine;hydrobromide.

Molecular Properties

Compound Namehexadecane;N-methylmethanamine;hydrobromide
PubChem CID174351414
Molecular FormulaC18H42BrN
Molecular Weight352.45 g/mol
Exact Mass351.25
IUPAC Namehexadecane;N-methylmethanamine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC.CNC
InChIInChI=1S/C16H34.C2H7N.BrH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-2;/h3-16H2,1-2H3;3H,1-2H3;1H
InChIKeyADRXJGROZCFCQZ-UHFFFAOYSA-N
XLogP6.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 56.90
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

N-methylmethanamine;octadecane
CID 18446151
undecane;dihydrobromide
CID 172838591
azane;bis(octadecane);hydrobromide
CID 174053735
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
dohexacontane
CID 522644
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 hexadecane;N-methylmethanamine;hydrobromide?
The IUPAC name of hexadecane;N-methylmethanamine;hydrobromide (CID 174351414) is hexadecane;N-methylmethanamine;hydrobromide.
What is the SMILES notation for hexadecane;N-methylmethanamine;hydrobromide?
The canonical SMILES for hexadecane;N-methylmethanamine;hydrobromide is Br.CCCCCCCCCCCCCCCC.CNC.
What is the InChIKey of hexadecane;N-methylmethanamine;hydrobromide?
The InChIKey is ADRXJGROZCFCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C2H7N.BrH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-3-2;/h3-16H2,1-2H3;3H,1-2H3;1H.
What are the key properties of hexadecane;N-methylmethanamine;hydrobromide?
hexadecane;N-methylmethanamine;hydrobromide has a molecular weight of 352.45 g/mol, XLogP of 6.90, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane;N-methylmethanamine;hydrobromide is sourced from PubChem (CID 174351414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).