dimethylamino-(N-methylidenecarbamimidoyl)azanide

C4H9N4- — CID 163595072

IUPACdimethylamino-(N-methylidenecarbamimidoyl)azanide
SMILES[H]/N=C(\N=C)[N-]N(C)C
InChIInChI=1S/C4H9N4/c1-6-4(5)7-8(2)3/h1H2,2-3H3,(H-,5,7)/q-1
InChIKeyGSSRURQDYHEQBQ-UHFFFAOYSA-N
MW113.14 g/mol
LogP0.47
Rot. Bonds1

About dimethylamino-(N-methylidenecarbamimidoyl)azanide

dimethylamino-(N-methylidenecarbamimidoyl)azanide (PubChem CID 163595072) has the molecular formula C4H9N4- and a molecular weight of 113.14 g/mol. Its IUPAC name is dimethylamino-(N-methylidenecarbamimidoyl)azanide.

Molecular Properties

Compound Namedimethylamino-(N-methylidenecarbamimidoyl)azanide
PubChem CID163595072
Molecular FormulaC4H9N4-
Molecular Weight113.14 g/mol
Exact Mass113.08
IUPAC Namedimethylamino-(N-methylidenecarbamimidoyl)azanide
SMILES[H]/N=C(\N=C)[N-]N(C)C
InChIInChI=1S/C4H9N4/c1-6-4(5)7-8(2)3/h1H2,2-3H3,(H-,5,7)/q-1
InChIKeyGSSRURQDYHEQBQ-UHFFFAOYSA-N
XLogP0.47
TPSA53.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.14
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-(N-methylidenecarbamimidoyl)azanide?
The IUPAC name of dimethylamino-(N-methylidenecarbamimidoyl)azanide (CID 163595072) is dimethylamino-(N-methylidenecarbamimidoyl)azanide.
What is the SMILES notation for dimethylamino-(N-methylidenecarbamimidoyl)azanide?
The canonical SMILES for dimethylamino-(N-methylidenecarbamimidoyl)azanide is [H]/N=C(\N=C)[N-]N(C)C.
What is the InChIKey of dimethylamino-(N-methylidenecarbamimidoyl)azanide?
The InChIKey is GSSRURQDYHEQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N4/c1-6-4(5)7-8(2)3/h1H2,2-3H3,(H-,5,7)/q-1.
What are the key properties of dimethylamino-(N-methylidenecarbamimidoyl)azanide?
dimethylamino-(N-methylidenecarbamimidoyl)azanide has a molecular weight of 113.14 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-(N-methylidenecarbamimidoyl)azanide is sourced from PubChem (CID 163595072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).