chloromethyl-dimethyl-nonylazanium bromide

C12H27BrClN — CID 139953693

IUPACchloromethyl-dimethyl-nonylazanium bromide
SMILESCCCCCCCCC[N+](C)(C)CCl.[Br-]
InChIInChI=1S/C12H27ClN.BrH/c1-4-5-6-7-8-9-10-11-14(2,3)12-13;/h4-12H2,1-3H3;1H/q+1;/p-1
InChIKeyMYYGSJBPGWMTRR-UHFFFAOYSA-M
MW300.71 g/mol
LogP1.01
Rot. Bonds9

About chloromethyl-dimethyl-nonylazanium bromide

chloromethyl-dimethyl-nonylazanium bromide (PubChem CID 139953693) has the molecular formula C12H27BrClN and a molecular weight of 300.71 g/mol. Its IUPAC name is chloromethyl-dimethyl-nonylazanium bromide.

Molecular Properties

Compound Namechloromethyl-dimethyl-nonylazanium bromide
PubChem CID139953693
Molecular FormulaC12H27BrClN
Molecular Weight300.71 g/mol
Exact Mass299.10
IUPAC Namechloromethyl-dimethyl-nonylazanium bromide
SMILESCCCCCCCCC[N+](C)(C)CCl.[Br-]
InChIInChI=1S/C12H27ClN.BrH/c1-4-5-6-7-8-9-10-11-14(2,3)12-13;/h4-12H2,1-3H3;1H/q+1;/p-1
InChIKeyMYYGSJBPGWMTRR-UHFFFAOYSA-M
XLogP1.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 51.01
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': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze chloromethyl-dimethyl-nonylazanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloromethyl-dimethyl-tridecylazanium
CID 139952522
docosyl-dimethyl-octylazanium bromide
CID 71367843
6-[dimethyl(octadecyl)azaniumyl]hexyl-hexyl-dimethylazanium dibromide
CID 175685910
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium dibromide
CID 154726412
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium dibromide
CID 12958279
2-chloroethyl-decyl-dimethylazanium bromide
CID 139952688
4-chlorobutyl-dimethyl-octylazanium bromide
CID 139953397
azanium;dimethyl-di(tetradecyl)azanium;dibromide
CID 172853989
6-[dimethyl(nonadecyl)azaniumyl]hexyl-dimethyl-nonadecylazanium
CID 154726413
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
heptyl-dimethyl-undecylazanium
CID 122480849

Frequently Asked Questions

What is the IUPAC name of chloromethyl-dimethyl-nonylazanium bromide?
The IUPAC name of chloromethyl-dimethyl-nonylazanium bromide (CID 139953693) is chloromethyl-dimethyl-nonylazanium bromide.
What is the SMILES notation for chloromethyl-dimethyl-nonylazanium bromide?
The canonical SMILES for chloromethyl-dimethyl-nonylazanium bromide is CCCCCCCCC[N+](C)(C)CCl.[Br-].
What is the InChIKey of chloromethyl-dimethyl-nonylazanium bromide?
The InChIKey is MYYGSJBPGWMTRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27ClN.BrH/c1-4-5-6-7-8-9-10-11-14(2,3)12-13;/h4-12H2,1-3H3;1H/q+1;/p-1.
What are the key properties of chloromethyl-dimethyl-nonylazanium bromide?
chloromethyl-dimethyl-nonylazanium bromide has a molecular weight of 300.71 g/mol, XLogP of 1.01, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-dimethyl-nonylazanium bromide is sourced from PubChem (CID 139953693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).