azanium;dodecane;chloride

C12H30ClN — CID 172693740

IUPACazanium;dodecane;chloride
SMILESCCCCCCCCCCCC.[Cl-].[NH4+]
InChIInChI=1S/C12H26.ClH.H3N/c1-3-5-7-9-11-12-10-8-6-4-2;;/h3-12H2,1-2H3;1H;1H3
InChIKeyCAMQHLSHLRDNMK-UHFFFAOYSA-N
MW223.83 g/mol
LogP2.31
Rot. Bonds9

About azanium;dodecane;chloride

azanium;dodecane;chloride (PubChem CID 172693740) has the molecular formula C12H30ClN and a molecular weight of 223.83 g/mol. Its IUPAC name is azanium;dodecane;chloride.

Molecular Properties

Compound Nameazanium;dodecane;chloride
PubChem CID172693740
Molecular FormulaC12H30ClN
Molecular Weight223.83 g/mol
Exact Mass223.21
IUPAC Nameazanium;dodecane;chloride
SMILESCCCCCCCCCCCC.[Cl-].[NH4+]
InChIInChI=1S/C12H26.ClH.H3N/c1-3-5-7-9-11-12-10-8-6-4-2;;/h3-12H2,1-2H3;1H;1H3
InChIKeyCAMQHLSHLRDNMK-UHFFFAOYSA-N
XLogP2.31
TPSA36.50 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.83
LogP ≤ 52.31
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

azanium;octacosane;chloride
CID 172810874
undecane chloride
CID 19736895
magnesium;undecane;dichloride
CID 175829094
(1,2,3,4,5,6,7,8,9,10,11,12-13C12)dodecane
CID 71309250
dodecane;pentadecane
CID 162065772
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
henoctacontane
CID 22086342
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of azanium;dodecane;chloride?
The IUPAC name of azanium;dodecane;chloride (CID 172693740) is azanium;dodecane;chloride.
What is the SMILES notation for azanium;dodecane;chloride?
The canonical SMILES for azanium;dodecane;chloride is CCCCCCCCCCCC.[Cl-].[NH4+].
What is the InChIKey of azanium;dodecane;chloride?
The InChIKey is CAMQHLSHLRDNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26.ClH.H3N/c1-3-5-7-9-11-12-10-8-6-4-2;;/h3-12H2,1-2H3;1H;1H3.
What are the key properties of azanium;dodecane;chloride?
azanium;dodecane;chloride has a molecular weight of 223.83 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;dodecane;chloride is sourced from PubChem (CID 172693740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).