1-(diaminomethylidene)-2-(dimethylamino)guanidine

C4H12N6 — CID 83035957

IUPAC1-(diaminomethylidene)-2-(dimethylamino)guanidine
SMILESCN(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C4H12N6/c1-10(2)9-4(7)8-3(5)6/h1-2H3,(H6,5,6,7,8,9)
InChIKeyKHYCSJZWGQWLSI-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.95
Rot. Bonds1

About 1-(diaminomethylidene)-2-(dimethylamino)guanidine

1-(diaminomethylidene)-2-(dimethylamino)guanidine (PubChem CID 83035957) has the molecular formula C4H12N6 and a molecular weight of 144.18 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(dimethylamino)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(dimethylamino)guanidine
PubChem CID83035957
Molecular FormulaC4H12N6
Molecular Weight144.18 g/mol
Exact Mass144.11
IUPAC Name1-(diaminomethylidene)-2-(dimethylamino)guanidine
SMILESCN(C)/N=C(\N)N=C(N)N
InChIInChI=1S/C4H12N6/c1-10(2)9-4(7)8-3(5)6/h1-2H3,(H6,5,6,7,8,9)
InChIKeyKHYCSJZWGQWLSI-UHFFFAOYSA-N
XLogP-1.95
TPSA106.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
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 1-(diaminomethylidene)-2-(dimethylamino)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(dimethylamino)guanidine (CID 83035957) is 1-(diaminomethylidene)-2-(dimethylamino)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(dimethylamino)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(dimethylamino)guanidine is CN(C)/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-(dimethylamino)guanidine?
The InChIKey is KHYCSJZWGQWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N6/c1-10(2)9-4(7)8-3(5)6/h1-2H3,(H6,5,6,7,8,9).
What are the key properties of 1-(diaminomethylidene)-2-(dimethylamino)guanidine?
1-(diaminomethylidene)-2-(dimethylamino)guanidine has a molecular weight of 144.18 g/mol, XLogP of -1.95, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(dimethylamino)guanidine is sourced from PubChem (CID 83035957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).