14,14-dimethylpentadecylazanium bromide

C17H38BrN — CID 87866505

IUPAC14,14-dimethylpentadecylazanium bromide
SMILESCC(C)(C)CCCCCCCCCCCCC[NH3+].[Br-]
InChIInChI=1S/C17H37N.BrH/c1-17(2,3)15-13-11-9-7-5-4-6-8-10-12-14-16-18;/h4-16,18H2,1-3H3;1H
InChIKeyIWYVTDDKRXKGHB-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.96
Rot. Bonds12

About 14,14-dimethylpentadecylazanium bromide

14,14-dimethylpentadecylazanium bromide (PubChem CID 87866505) has the molecular formula C17H38BrN and a molecular weight of 336.40 g/mol. Its IUPAC name is 14,14-dimethylpentadecylazanium bromide.

Molecular Properties

Compound Name14,14-dimethylpentadecylazanium bromide
PubChem CID87866505
Molecular FormulaC17H38BrN
Molecular Weight336.40 g/mol
Exact Mass335.22
IUPAC Name14,14-dimethylpentadecylazanium bromide
SMILESCC(C)(C)CCCCCCCCCCCCC[NH3+].[Br-]
InChIInChI=1S/C17H37N.BrH/c1-17(2,3)15-13-11-9-7-5-4-6-8-10-12-14-16-18;/h4-16,18H2,1-3H3;1H
InChIKeyIWYVTDDKRXKGHB-UHFFFAOYSA-N
XLogP1.96
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14,14-dimethylpentadecylazanium bromide?
The IUPAC name of 14,14-dimethylpentadecylazanium bromide (CID 87866505) is 14,14-dimethylpentadecylazanium bromide.
What is the SMILES notation for 14,14-dimethylpentadecylazanium bromide?
The canonical SMILES for 14,14-dimethylpentadecylazanium bromide is CC(C)(C)CCCCCCCCCCCCC[NH3+].[Br-].
What is the InChIKey of 14,14-dimethylpentadecylazanium bromide?
The InChIKey is IWYVTDDKRXKGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N.BrH/c1-17(2,3)15-13-11-9-7-5-4-6-8-10-12-14-16-18;/h4-16,18H2,1-3H3;1H.
What are the key properties of 14,14-dimethylpentadecylazanium bromide?
14,14-dimethylpentadecylazanium bromide has a molecular weight of 336.40 g/mol, XLogP of 1.96, 12 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethylpentadecylazanium bromide is sourced from PubChem (CID 87866505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).