azane;butyl-decyl-dimethylazanium;chloride;hydrochloride

C16H40Cl2N2 — CID 173206612

IUPACazane;butyl-decyl-dimethylazanium;chloride;hydrochloride
SMILESCCCCCCCCCC[N+](C)(C)CCCC.Cl.N.[Cl-]
InChIInChI=1S/C16H36N.2ClH.H3N/c1-5-7-9-10-11-12-13-14-16-17(3,4)15-8-6-2;;;/h5-16H2,1-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyDHNYIFJZZOSXDX-UHFFFAOYSA-M
MW331.42 g/mol
LogP2.59
Rot. Bonds12

About azane;butyl-decyl-dimethylazanium;chloride;hydrochloride

azane;butyl-decyl-dimethylazanium;chloride;hydrochloride (PubChem CID 173206612) has the molecular formula C16H40Cl2N2 and a molecular weight of 331.42 g/mol. Its IUPAC name is azane;butyl-decyl-dimethylazanium;chloride;hydrochloride.

Molecular Properties

Compound Nameazane;butyl-decyl-dimethylazanium;chloride;hydrochloride
PubChem CID173206612
Molecular FormulaC16H40Cl2N2
Molecular Weight331.42 g/mol
Exact Mass330.26
IUPAC Nameazane;butyl-decyl-dimethylazanium;chloride;hydrochloride
SMILESCCCCCCCCCC[N+](C)(C)CCCC.Cl.N.[Cl-]
InChIInChI=1S/C16H36N.2ClH.H3N/c1-5-7-9-10-11-12-13-14-16-17(3,4)15-8-6-2;;;/h5-16H2,1-4H3;2*1H;1H3/q+1;;;/p-1
InChIKeyDHNYIFJZZOSXDX-UHFFFAOYSA-M
XLogP2.59
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexyl-icosyl-dimethylazanium chloride
CID 141083999
decyl-hexyl-dimethylazanium chloride
CID 19369138
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
butyl-dimethyl-pentadecylazanium
CID 58827785
decyl-dimethyl-nonylazanium chloride
CID 23185420
butyl-dodecyl-dimethylazanium iodide
CID 10524862
decyl-heptadecyl-dimethylazanium
CID 22158969
heptyl-[4-[hexadecyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 175704870
hexatriacontyl-hexyl-dimethylazanium
CID 141487817
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787

Frequently Asked Questions

What is the IUPAC name of azane;butyl-decyl-dimethylazanium;chloride;hydrochloride?
The IUPAC name of azane;butyl-decyl-dimethylazanium;chloride;hydrochloride (CID 173206612) is azane;butyl-decyl-dimethylazanium;chloride;hydrochloride.
What is the SMILES notation for azane;butyl-decyl-dimethylazanium;chloride;hydrochloride?
The canonical SMILES for azane;butyl-decyl-dimethylazanium;chloride;hydrochloride is CCCCCCCCCC[N+](C)(C)CCCC.Cl.N.[Cl-].
What is the InChIKey of azane;butyl-decyl-dimethylazanium;chloride;hydrochloride?
The InChIKey is DHNYIFJZZOSXDX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H36N.2ClH.H3N/c1-5-7-9-10-11-12-13-14-16-17(3,4)15-8-6-2;;;/h5-16H2,1-4H3;2*1H;1H3/q+1;;;/p-1.
What are the key properties of azane;butyl-decyl-dimethylazanium;chloride;hydrochloride?
azane;butyl-decyl-dimethylazanium;chloride;hydrochloride has a molecular weight of 331.42 g/mol, XLogP of 2.59, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butyl-decyl-dimethylazanium;chloride;hydrochloride is sourced from PubChem (CID 173206612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).