3-(diaminomethylidene)-1,1-dimethylguanidine

C4H11N5 — CID 4091

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IUPAC3-(diaminomethylidene)-1,1-dimethylguanidine
SMILES[H]/N=C(/N=C(N)N)N(C)C
InChIInChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
InChIKeyXZWYZXLIPXDOLR-UHFFFAOYSA-N
MW129.17 g/mol
LogP-1.24
Rot. Bonds

About 3-(diaminomethylidene)-1,1-dimethylguanidine

3-(diaminomethylidene)-1,1-dimethylguanidine (PubChem CID 4091) has the molecular formula C4H11N5 and a molecular weight of 129.17 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1,1-dimethylguanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1,1-dimethylguanidine
PubChem CID4091
Molecular FormulaC4H11N5
Molecular Weight129.17 g/mol
Exact Mass129.10
IUPAC Name3-(diaminomethylidene)-1,1-dimethylguanidine
SMILES[H]/N=C(/N=C(N)N)N(C)C
InChIInChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8)
InChIKeyXZWYZXLIPXDOLR-UHFFFAOYSA-N
XLogP-1.24
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.17
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Metformin Hydrochloride
CID 14219
Islotin
CID 155906370
[14C]metformin
CID 152743144
1-Cyano-3,3-dimethylguanidine
CID 121135
N1,N1-Dimethylbiguanide hydrochloride
CID 137346479
Metformin xr
CID 44573417
1-carbamimidamido-N,N-dimethylmethanimidamide hydrochloride
CID 137704554
Guanidine, N,N,N',N'-tetramethyl-, hydrochloride (1:1)
CID 15602
Metformin C-11
CID 73388104
N,N,N'-Trimethylguanidine
CID 141619
3-(Diaminomethylidene)-1,1-dimethylguanidine;hydron;chloride
CID 53630812
2-Carbamimidoyl-1,1-dimethylguanidine;hydron;chloride
CID 176517462

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1,1-dimethylguanidine?
The IUPAC name of 3-(diaminomethylidene)-1,1-dimethylguanidine (CID 4091) is 3-(diaminomethylidene)-1,1-dimethylguanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1,1-dimethylguanidine?
The canonical SMILES for 3-(diaminomethylidene)-1,1-dimethylguanidine is [H]/N=C(/N=C(N)N)N(C)C.
What is the InChIKey of 3-(diaminomethylidene)-1,1-dimethylguanidine?
The InChIKey is XZWYZXLIPXDOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N5/c1-9(2)4(7)8-3(5)6/h1-2H3,(H5,5,6,7,8).
What are the key properties of 3-(diaminomethylidene)-1,1-dimethylguanidine?
3-(diaminomethylidene)-1,1-dimethylguanidine has a molecular weight of 129.17 g/mol, XLogP of -1.24, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1,1-dimethylguanidine is sourced from PubChem (CID 4091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).