heptyl-hexyl-methylazanium bromide

C14H32BrN — CID 139955900

IUPACheptyl-hexyl-methylazanium bromide
SMILESCCCCCCC[NH+](C)CCCCCC.[Br-]
InChIInChI=1S/C14H31N.BrH/c1-4-6-8-10-12-14-15(3)13-11-9-7-5-2;/h4-14H2,1-3H3;1H
InChIKeyJBSXCAPHQJOCBE-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.06
Rot. Bonds11

About heptyl-hexyl-methylazanium bromide

heptyl-hexyl-methylazanium bromide (PubChem CID 139955900) has the molecular formula C14H32BrN and a molecular weight of 294.32 g/mol. Its IUPAC name is heptyl-hexyl-methylazanium bromide.

Molecular Properties

Compound Nameheptyl-hexyl-methylazanium bromide
PubChem CID139955900
Molecular FormulaC14H32BrN
Molecular Weight294.32 g/mol
Exact Mass293.17
IUPAC Nameheptyl-hexyl-methylazanium bromide
SMILESCCCCCCC[NH+](C)CCCCCC.[Br-]
InChIInChI=1S/C14H31N.BrH/c1-4-6-8-10-12-14-15(3)13-11-9-7-5-2;/h4-14H2,1-3H3;1H
InChIKeyJBSXCAPHQJOCBE-UHFFFAOYSA-N
XLogP0.06
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.06
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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Related Compounds

Dioctylamine
CID 3094
N-Methyloctadecylamine
CID 75539
Dihexylamine
CID 8920
N,N'-Dibutyl-1,6-hexanediamine
CID 20972
Ditridecylamine
CID 22200
Octylmethylamine
CID 75538
N-Methyl-1-dodecanamine
CID 81746
Didodecylamine
CID 18157
Diheptylamine
CID 75580
Dimyristylamine
CID 87077
Lauraminopropylamine
CID 79670
Didecylamine
CID 14261

Frequently Asked Questions

What is the IUPAC name of heptyl-hexyl-methylazanium bromide?
The IUPAC name of heptyl-hexyl-methylazanium bromide (CID 139955900) is heptyl-hexyl-methylazanium bromide.
What is the SMILES notation for heptyl-hexyl-methylazanium bromide?
The canonical SMILES for heptyl-hexyl-methylazanium bromide is CCCCCCC[NH+](C)CCCCCC.[Br-].
What is the InChIKey of heptyl-hexyl-methylazanium bromide?
The InChIKey is JBSXCAPHQJOCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N.BrH/c1-4-6-8-10-12-14-15(3)13-11-9-7-5-2;/h4-14H2,1-3H3;1H.
What are the key properties of heptyl-hexyl-methylazanium bromide?
heptyl-hexyl-methylazanium bromide has a molecular weight of 294.32 g/mol, XLogP of 0.06, 11 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptyl-hexyl-methylazanium bromide is sourced from PubChem (CID 139955900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).