1,3-dimethylideneguanidine;methane

C4H9N3 — CID 158965440

IUPAC1,3-dimethylideneguanidine;methane
SMILESC.[H]N=C(N=C)N=C
InChIInChI=1S/C3H5N3.CH4/c1-5-3(4)6-2;/h4H,1-2H2;1H4
InChIKeyJNDIFKDQJSEAEK-UHFFFAOYSA-N
MW99.14 g/mol
LogP0.96
Rot. Bonds

About 1,3-dimethylideneguanidine;methane

1,3-dimethylideneguanidine;methane (PubChem CID 158965440) has the molecular formula C4H9N3 and a molecular weight of 99.14 g/mol. Its IUPAC name is 1,3-dimethylideneguanidine;methane.

Molecular Properties

Compound Name1,3-dimethylideneguanidine;methane
PubChem CID158965440
Molecular FormulaC4H9N3
Molecular Weight99.14 g/mol
Exact Mass99.08
IUPAC Name1,3-dimethylideneguanidine;methane
SMILESC.[H]N=C(N=C)N=C
InChIInChI=1S/C3H5N3.CH4/c1-5-3(4)6-2;/h4H,1-2H2;1H4
InChIKeyJNDIFKDQJSEAEK-UHFFFAOYSA-N
XLogP0.96
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.14
LogP ≤ 50.96
H-Bond Donors ≤ 51
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

N-[1,2,2-tris(methylideneamino)ethenyl]methanimine
CID 139820201
2-fluoro-3-(methylideneamino)propanoic acid
CID 170273570
N-(4-bromo-3-methylsulfanylbut-2-en-2-yl)methanimine
CID 91325584
1-methylideneguanidine;hydrate
CID 173023298
2-(methylideneamino)but-2-en-1-ol
CID 123260913
methane;1,1,1,2-tetrafluoroethane;2,3,3,3-tetrafluoroprop-1-ene
CID 160545532
1-ethyl-1-methyl-3-methylideneguanidine
CID 59950676
N'-ethenyl-3-methyl-N-methylidenebutanimidamide
CID 178151525
N-[(3E,5E)-5-methoxyhepta-1,3,5-trien-4-yl]methanimine
CID 145152774
azane;1-methylideneguanidine;hydrochloride
CID 174872522
ethane;(Z)-N-methyl-3-(methylideneamino)but-2-en-2-amine
CID 143722867
N-[(E)-pent-2-en-2-yl]methanimine
CID 154559491

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylideneguanidine;methane?
The IUPAC name of 1,3-dimethylideneguanidine;methane (CID 158965440) is 1,3-dimethylideneguanidine;methane.
What is the SMILES notation for 1,3-dimethylideneguanidine;methane?
The canonical SMILES for 1,3-dimethylideneguanidine;methane is C.[H]N=C(N=C)N=C.
What is the InChIKey of 1,3-dimethylideneguanidine;methane?
The InChIKey is JNDIFKDQJSEAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3.CH4/c1-5-3(4)6-2;/h4H,1-2H2;1H4.
What are the key properties of 1,3-dimethylideneguanidine;methane?
1,3-dimethylideneguanidine;methane has a molecular weight of 99.14 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylideneguanidine;methane is sourced from PubChem (CID 158965440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).