dibutyl(methylidene)azanium chloride

C9H20ClN — CID 12719384

IUPACdibutyl(methylidene)azanium chloride
SMILESC=[N+](CCCC)CCCC.[Cl-]
InChIInChI=1S/C9H20N.ClH/c1-4-6-8-10(3)9-7-5-2;/h3-9H2,1-2H3;1H/q+1;/p-1
InChIKeyHCQUYAALANWJKP-UHFFFAOYSA-M
MW177.72 g/mol
LogP-0.70
Rot. Bonds6

About dibutyl(methylidene)azanium chloride

dibutyl(methylidene)azanium chloride (PubChem CID 12719384) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is dibutyl(methylidene)azanium chloride.

Molecular Properties

Compound Namedibutyl(methylidene)azanium chloride
PubChem CID12719384
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Namedibutyl(methylidene)azanium chloride
SMILESC=[N+](CCCC)CCCC.[Cl-]
InChIInChI=1S/C9H20N.ClH/c1-4-6-8-10(3)9-7-5-2;/h3-9H2,1-2H3;1H/q+1;/p-1
InChIKeyHCQUYAALANWJKP-UHFFFAOYSA-M
XLogP-0.70
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

butyl-(methylaminomethyl)-methylideneazanium
CID 123374943
N-dodecylmethanimine oxide
CID 174690762
CID 157215984
CID 157215984
ethene;pentane
CID 54525676
pentane;zirconium(2+);dichloride
CID 174388697
carbanide;hexane;tetrakis(yttrium)
CID 161096605
calcium;pentane;dichloride
CID 174907743
hexane;titanium(3+);trichloride
CID 163599635
undecane chloride
CID 19736895
heptane;silane;trihydrochloride
CID 173470147
butane;methane;pentane;yttrium
CID 160675384
magnesium;undecane;dichloride
CID 175829094

Frequently Asked Questions

What is the IUPAC name of dibutyl(methylidene)azanium chloride?
The IUPAC name of dibutyl(methylidene)azanium chloride (CID 12719384) is dibutyl(methylidene)azanium chloride.
What is the SMILES notation for dibutyl(methylidene)azanium chloride?
The canonical SMILES for dibutyl(methylidene)azanium chloride is C=[N+](CCCC)CCCC.[Cl-].
What is the InChIKey of dibutyl(methylidene)azanium chloride?
The InChIKey is HCQUYAALANWJKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H20N.ClH/c1-4-6-8-10(3)9-7-5-2;/h3-9H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dibutyl(methylidene)azanium chloride?
dibutyl(methylidene)azanium chloride has a molecular weight of 177.72 g/mol, XLogP of -0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(methylidene)azanium chloride is sourced from PubChem (CID 12719384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).