1,1,2-trimethyl-3-methylideneguanidine

C5H11N3 — CID 18718018

IUPAC1,1,2-trimethyl-3-methylideneguanidine
SMILESC=N/C(=N\C)N(C)C
InChIInChI=1S/C5H11N3/c1-6-5(7-2)8(3)4/h1H2,2-4H3/b7-5+
InChIKeyFGGNJPUPCWCBCV-FNORWQNLSA-N
MW113.16 g/mol
LogP0.23
Rot. Bonds

About 1,1,2-trimethyl-3-methylideneguanidine

1,1,2-trimethyl-3-methylideneguanidine (PubChem CID 18718018) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-methylideneguanidine.

Molecular Properties

Compound Name1,1,2-trimethyl-3-methylideneguanidine
PubChem CID18718018
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC Name1,1,2-trimethyl-3-methylideneguanidine
SMILESC=N/C(=N\C)N(C)C
InChIInChI=1S/C5H11N3/c1-6-5(7-2)8(3)4/h1H2,2-4H3/b7-5+
InChIKeyFGGNJPUPCWCBCV-FNORWQNLSA-N
XLogP0.23
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.23
H-Bond Donors ≤ 50
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

(Dimethylaminomethylene)dimethylammonium chloride
CID 9793790
N'-Cyano-N,N-dimethylmethanimidamide
CID 123487
Gold's Reagent
CID 11008255
N,N,N'-Trimethylguanidine
CID 141619
N,N,N',N',N''-Pentamethylguanidine
CID 139457
Dimethyl(dimethylaminomethylene)aminium
CID 3014066
[Amino(dimethylamino)methylidene]-dimethylazanium
CID 15603
Hexamethylguanidinium
CID 2759274
N,N,N'-Trimethylmethanimidamide
CID 6432148
trimethyl-(N,N,N'-trimethylcarbamimidoyl)azanium
CID 17849739
trimethyl-(N'-methylcarbamimidoyl)azanium
CID 18921325
(Dimethylaminomethylideneamino)methylidene-dimethylazanium
CID 4340571

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-methylideneguanidine?
The IUPAC name of 1,1,2-trimethyl-3-methylideneguanidine (CID 18718018) is 1,1,2-trimethyl-3-methylideneguanidine.
What is the SMILES notation for 1,1,2-trimethyl-3-methylideneguanidine?
The canonical SMILES for 1,1,2-trimethyl-3-methylideneguanidine is C=N/C(=N\C)N(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-methylideneguanidine?
The InChIKey is FGGNJPUPCWCBCV-FNORWQNLSA-N. The full InChI is InChI=1S/C5H11N3/c1-6-5(7-2)8(3)4/h1H2,2-4H3/b7-5+.
What are the key properties of 1,1,2-trimethyl-3-methylideneguanidine?
1,1,2-trimethyl-3-methylideneguanidine has a molecular weight of 113.16 g/mol, XLogP of 0.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-methylideneguanidine is sourced from PubChem (CID 18718018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).