[butylamino(methylamino)methylidene]-dimethylazanium chloride

C8H20ClN3 — CID 172757722

IUPAC[butylamino(methylamino)methylidene]-dimethylazanium chloride
SMILESCCCCNC(NC)=[N+](C)C.[Cl-]
InChIInChI=1S/C8H19N3.ClH/c1-5-6-7-10-8(9-2)11(3)4;/h5-7H2,1-4H3,(H,9,10);1H
InChIKeyLGIXPSVHPZTKRI-UHFFFAOYSA-N
MW193.72 g/mol
LogP-2.77
Rot. Bonds3

About [butylamino(methylamino)methylidene]-dimethylazanium chloride

[butylamino(methylamino)methylidene]-dimethylazanium chloride (PubChem CID 172757722) has the molecular formula C8H20ClN3 and a molecular weight of 193.72 g/mol. Its IUPAC name is [butylamino(methylamino)methylidene]-dimethylazanium chloride.

Molecular Properties

Compound Name[butylamino(methylamino)methylidene]-dimethylazanium chloride
PubChem CID172757722
Molecular FormulaC8H20ClN3
Molecular Weight193.72 g/mol
Exact Mass193.13
IUPAC Name[butylamino(methylamino)methylidene]-dimethylazanium chloride
SMILESCCCCNC(NC)=[N+](C)C.[Cl-]
InChIInChI=1S/C8H19N3.ClH/c1-5-6-7-10-8(9-2)11(3)4;/h5-7H2,1-4H3,(H,9,10);1H
InChIKeyLGIXPSVHPZTKRI-UHFFFAOYSA-N
XLogP-2.77
TPSA27.07 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 5-2.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-methylurea;hydrochloride
CID 20501295
1-N'-butyl-1-N-methylethene-1,1-diamine;methane
CID 159003501
bis(2,2-dibutylhydrazinyl)methylidene-dimethylazanium chloride
CID 158237213
butylcarbamic acid
CID 3026651
1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
(Z)-3-(butylamino)-4-(methylamino)-2-oxopent-3-enal
CID 142173677
N-methylbutan-1-amine
CID 8068
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
1-dodecyl-3-methylthiourea
CID 5151745
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
1-methyl-3-nonylurea
CID 91937244
butylcarbamic acid;zinc
CID 141049802

Frequently Asked Questions

What is the IUPAC name of [butylamino(methylamino)methylidene]-dimethylazanium chloride?
The IUPAC name of [butylamino(methylamino)methylidene]-dimethylazanium chloride (CID 172757722) is [butylamino(methylamino)methylidene]-dimethylazanium chloride.
What is the SMILES notation for [butylamino(methylamino)methylidene]-dimethylazanium chloride?
The canonical SMILES for [butylamino(methylamino)methylidene]-dimethylazanium chloride is CCCCNC(NC)=[N+](C)C.[Cl-].
What is the InChIKey of [butylamino(methylamino)methylidene]-dimethylazanium chloride?
The InChIKey is LGIXPSVHPZTKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3.ClH/c1-5-6-7-10-8(9-2)11(3)4;/h5-7H2,1-4H3,(H,9,10);1H.
What are the key properties of [butylamino(methylamino)methylidene]-dimethylazanium chloride?
[butylamino(methylamino)methylidene]-dimethylazanium chloride has a molecular weight of 193.72 g/mol, XLogP of -2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [butylamino(methylamino)methylidene]-dimethylazanium chloride is sourced from PubChem (CID 172757722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).