azanium;N,N-dimethylformamide;chloride

C3H11ClN2O — CID 159495814

IUPACazanium;N,N-dimethylformamide;chloride
SMILESCN(C)C=O.[Cl-].[NH4+]
InChIInChI=1S/C3H7NO.ClH.H3N/c1-4(2)3-5;;/h3H,1-2H3;1H;1H3
InChIKeyLYTOHQRGGGEVMQ-UHFFFAOYSA-N
MW126.59 g/mol
LogP-2.92
Rot. Bonds1

About azanium;N,N-dimethylformamide;chloride

azanium;N,N-dimethylformamide;chloride (PubChem CID 159495814) has the molecular formula C3H11ClN2O and a molecular weight of 126.59 g/mol. Its IUPAC name is azanium;N,N-dimethylformamide;chloride.

Molecular Properties

Compound Nameazanium;N,N-dimethylformamide;chloride
PubChem CID159495814
Molecular FormulaC3H11ClN2O
Molecular Weight126.59 g/mol
Exact Mass126.06
IUPAC Nameazanium;N,N-dimethylformamide;chloride
SMILESCN(C)C=O.[Cl-].[NH4+]
InChIInChI=1S/C3H7NO.ClH.H3N/c1-4(2)3-5;;/h3H,1-2H3;1H;1H3
InChIKeyLYTOHQRGGGEVMQ-UHFFFAOYSA-N
XLogP-2.92
TPSA56.81 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.59
LogP ≤ 5-2.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 159352431
CID 159352431
N,N-dimethylformamide;molecular chlorine
CID 86751989
pentakis(N,N-dimethylformamide);ethane
CID 54023735
potassium;N,N-dimethylformamide;iodide
CID 87701364
N,N-dimethylformamide;gold;hydrochloride
CID 174891065
N,N-dimethylformamide;methanethiol
CID 86741828
CID 175333596
CID 175333596
lithium;N,N-dimethylformamide;iodide
CID 161014546
N,N-dimethylformamide;sulfur monoxide
CID 87147971
N,N-dimethylformamide;oxonickel
CID 175038088
calcium;N,N-dimethylformamide;hydride;hydrate
CID 175068153
barium(2+);N,N-dimethylformamide;hydride;hydrate
CID 174779878

Frequently Asked Questions

What is the IUPAC name of azanium;N,N-dimethylformamide;chloride?
The IUPAC name of azanium;N,N-dimethylformamide;chloride (CID 159495814) is azanium;N,N-dimethylformamide;chloride.
What is the SMILES notation for azanium;N,N-dimethylformamide;chloride?
The canonical SMILES for azanium;N,N-dimethylformamide;chloride is CN(C)C=O.[Cl-].[NH4+].
What is the InChIKey of azanium;N,N-dimethylformamide;chloride?
The InChIKey is LYTOHQRGGGEVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.ClH.H3N/c1-4(2)3-5;;/h3H,1-2H3;1H;1H3.
What are the key properties of azanium;N,N-dimethylformamide;chloride?
azanium;N,N-dimethylformamide;chloride has a molecular weight of 126.59 g/mol, XLogP of -2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;N,N-dimethylformamide;chloride is sourced from PubChem (CID 159495814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).