bis(dimethylaminocarbamoyl)-methylazanium

C7H18N5O2+ — CID 173251065

IUPACbis(dimethylaminocarbamoyl)-methylazanium
SMILESCN(C)NC(=O)[NH+](C)C(=O)NN(C)C
InChIInChI=1S/C7H17N5O2/c1-10(2)8-6(13)12(5)7(14)9-11(3)4/h1-5H3,(H,8,13)(H,9,14)/p+1
InChIKeyIMQJEESFEYMQEU-UHFFFAOYSA-O
MW204.25 g/mol
LogP-2.13
Rot. Bonds2

About bis(dimethylaminocarbamoyl)-methylazanium

bis(dimethylaminocarbamoyl)-methylazanium (PubChem CID 173251065) has the molecular formula C7H18N5O2+ and a molecular weight of 204.25 g/mol. Its IUPAC name is bis(dimethylaminocarbamoyl)-methylazanium.

Molecular Properties

Compound Namebis(dimethylaminocarbamoyl)-methylazanium
PubChem CID173251065
Molecular FormulaC7H18N5O2+
Molecular Weight204.25 g/mol
Exact Mass204.15
IUPAC Namebis(dimethylaminocarbamoyl)-methylazanium
SMILESCN(C)NC(=O)[NH+](C)C(=O)NN(C)C
InChIInChI=1S/C7H17N5O2/c1-10(2)8-6(13)12(5)7(14)9-11(3)4/h1-5H3,(H,8,13)(H,9,14)/p+1
InChIKeyIMQJEESFEYMQEU-UHFFFAOYSA-O
XLogP-2.13
TPSA69.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-2.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(dimethylaminocarbamoyl)-methylazanium?
The IUPAC name of bis(dimethylaminocarbamoyl)-methylazanium (CID 173251065) is bis(dimethylaminocarbamoyl)-methylazanium.
What is the SMILES notation for bis(dimethylaminocarbamoyl)-methylazanium?
The canonical SMILES for bis(dimethylaminocarbamoyl)-methylazanium is CN(C)NC(=O)[NH+](C)C(=O)NN(C)C.
What is the InChIKey of bis(dimethylaminocarbamoyl)-methylazanium?
The InChIKey is IMQJEESFEYMQEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17N5O2/c1-10(2)8-6(13)12(5)7(14)9-11(3)4/h1-5H3,(H,8,13)(H,9,14)/p+1.
What are the key properties of bis(dimethylaminocarbamoyl)-methylazanium?
bis(dimethylaminocarbamoyl)-methylazanium has a molecular weight of 204.25 g/mol, XLogP of -2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylaminocarbamoyl)-methylazanium is sourced from PubChem (CID 173251065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).