2-(dimethylamino)-1-methylideneguanidine

C4H10N4 — CID 163412804

IUPAC2-(dimethylamino)-1-methylideneguanidine
SMILESC=NC(N)=NN(C)C
InChIInChI=1S/C4H10N4/c1-6-4(5)7-8(2)3/h1H2,2-3H3,(H2,5,7)
InChIKeyABWFQZWGXOMSMT-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.52
Rot. Bonds1

About 2-(dimethylamino)-1-methylideneguanidine

2-(dimethylamino)-1-methylideneguanidine (PubChem CID 163412804) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-(dimethylamino)-1-methylideneguanidine.

Molecular Properties

Compound Name2-(dimethylamino)-1-methylideneguanidine
PubChem CID163412804
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Name2-(dimethylamino)-1-methylideneguanidine
SMILESC=NC(N)=NN(C)C
InChIInChI=1S/C4H10N4/c1-6-4(5)7-8(2)3/h1H2,2-3H3,(H2,5,7)
InChIKeyABWFQZWGXOMSMT-UHFFFAOYSA-N
XLogP-0.52
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.52
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 2-(dimethylamino)-1-methylideneguanidine?
The IUPAC name of 2-(dimethylamino)-1-methylideneguanidine (CID 163412804) is 2-(dimethylamino)-1-methylideneguanidine.
What is the SMILES notation for 2-(dimethylamino)-1-methylideneguanidine?
The canonical SMILES for 2-(dimethylamino)-1-methylideneguanidine is C=NC(N)=NN(C)C.
What is the InChIKey of 2-(dimethylamino)-1-methylideneguanidine?
The InChIKey is ABWFQZWGXOMSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4/c1-6-4(5)7-8(2)3/h1H2,2-3H3,(H2,5,7).
What are the key properties of 2-(dimethylamino)-1-methylideneguanidine?
2-(dimethylamino)-1-methylideneguanidine has a molecular weight of 114.15 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-methylideneguanidine is sourced from PubChem (CID 163412804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).