hexadecane;methanamine;hydrobromide

C17H40BrN — CID 175276433

IUPAChexadecane;methanamine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC.CN
InChIInChI=1S/C16H34.CH5N.BrH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2;/h3-16H2,1-2H3;2H2,1H3;1H
InChIKeyMYVTVDMIQFLYBW-UHFFFAOYSA-N
MW338.42 g/mol
LogP6.64
Rot. Bonds13

About hexadecane;methanamine;hydrobromide

hexadecane;methanamine;hydrobromide (PubChem CID 175276433) has the molecular formula C17H40BrN and a molecular weight of 338.42 g/mol. Its IUPAC name is hexadecane;methanamine;hydrobromide.

Molecular Properties

Compound Namehexadecane;methanamine;hydrobromide
PubChem CID175276433
Molecular FormulaC17H40BrN
Molecular Weight338.42 g/mol
Exact Mass337.23
IUPAC Namehexadecane;methanamine;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCC.CN
InChIInChI=1S/C16H34.CH5N.BrH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2;/h3-16H2,1-2H3;2H2,1H3;1H
InChIKeyMYVTVDMIQFLYBW-UHFFFAOYSA-N
XLogP6.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.42
LogP ≤ 56.64
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

methanamine;tris(octane)
CID 173014836
decane;methanamine
CID 159574300
methanamine;octane
CID 174301406
methanamine;nonane
CID 155694820
undecane;dihydrobromide
CID 172838591
heptadecane;hydrazine
CID 174880698
azane;bis(octadecane);hydrobromide
CID 174053735
icosane;phosphane;hydrobromide
CID 172836983
hydrazine;pentadecane
CID 174880620
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of hexadecane;methanamine;hydrobromide?
The IUPAC name of hexadecane;methanamine;hydrobromide (CID 175276433) is hexadecane;methanamine;hydrobromide.
What is the SMILES notation for hexadecane;methanamine;hydrobromide?
The canonical SMILES for hexadecane;methanamine;hydrobromide is Br.CCCCCCCCCCCCCCCC.CN.
What is the InChIKey of hexadecane;methanamine;hydrobromide?
The InChIKey is MYVTVDMIQFLYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.CH5N.BrH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-2;/h3-16H2,1-2H3;2H2,1H3;1H.
What are the key properties of hexadecane;methanamine;hydrobromide?
hexadecane;methanamine;hydrobromide has a molecular weight of 338.42 g/mol, XLogP of 6.64, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane;methanamine;hydrobromide is sourced from PubChem (CID 175276433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).