4-bromobutyl-dimethyl-nonylazanium

C15H33BrN+ — CID 139952423

IUPAC4-bromobutyl-dimethyl-nonylazanium
SMILESCCCCCCCCC[N+](C)(C)CCCCBr
InChIInChI=1S/C15H33BrN/c1-4-5-6-7-8-9-11-14-17(2,3)15-12-10-13-16/h4-15H2,1-3H3/q+1
InChIKeyFGMWQIGHCBECOZ-UHFFFAOYSA-N
MW307.34 g/mol
LogP4.99
Rot. Bonds12

About 4-bromobutyl-dimethyl-nonylazanium

4-bromobutyl-dimethyl-nonylazanium (PubChem CID 139952423) has the molecular formula C15H33BrN+ and a molecular weight of 307.34 g/mol. Its IUPAC name is 4-bromobutyl-dimethyl-nonylazanium.

Molecular Properties

Compound Name4-bromobutyl-dimethyl-nonylazanium
PubChem CID139952423
Molecular FormulaC15H33BrN+
Molecular Weight307.34 g/mol
Exact Mass306.18
IUPAC Name4-bromobutyl-dimethyl-nonylazanium
SMILESCCCCCCCCC[N+](C)(C)CCCCBr
InChIInChI=1S/C15H33BrN/c1-4-5-6-7-8-9-11-14-17(2,3)15-12-10-13-16/h4-15H2,1-3H3/q+1
InChIKeyFGMWQIGHCBECOZ-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

6-bromohexyl-decyl-dimethylazanium
CID 54254766
4-bromobutyl-dodecyl-dimethylazanium
CID 139952700
12-bromododecyl-dodecyl-dimethylazanium
CID 168867166
4-bromobutyl-dimethyl-octylazanium bromide
CID 139952710
3-bromopropyl-dimethyl-tetradecylazanium
CID 14625788
3-bromopropyl-dimethyl-tridecylazanium chloride
CID 139953004
3-bromopropyl-dimethyl-tridecylazanium iodide
CID 139952998
3-bromopropyl-dimethyl-tridecylazanium bromide
CID 139953631
3-bromopropyl-dodecyl-dimethylazanium iodide
CID 139953348
2-bromoethyl-icosyl-dimethylazanium
CID 14625489
2-bromoethyl-dimethyl-tetradecylazanium chloride
CID 139792284
decyl-heptadecyl-dimethylazanium
CID 22158969

Frequently Asked Questions

What is the IUPAC name of 4-bromobutyl-dimethyl-nonylazanium?
The IUPAC name of 4-bromobutyl-dimethyl-nonylazanium (CID 139952423) is 4-bromobutyl-dimethyl-nonylazanium.
What is the SMILES notation for 4-bromobutyl-dimethyl-nonylazanium?
The canonical SMILES for 4-bromobutyl-dimethyl-nonylazanium is CCCCCCCCC[N+](C)(C)CCCCBr.
What is the InChIKey of 4-bromobutyl-dimethyl-nonylazanium?
The InChIKey is FGMWQIGHCBECOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33BrN/c1-4-5-6-7-8-9-11-14-17(2,3)15-12-10-13-16/h4-15H2,1-3H3/q+1.
What are the key properties of 4-bromobutyl-dimethyl-nonylazanium?
4-bromobutyl-dimethyl-nonylazanium has a molecular weight of 307.34 g/mol, XLogP of 4.99, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobutyl-dimethyl-nonylazanium is sourced from PubChem (CID 139952423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).