(1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine

C6H11N3 — CID 144628674

IUPAC(1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine
SMILESC=C(C)/C=N\C(N)=N\C
InChIInChI=1S/C6H11N3/c1-5(2)4-9-6(7)8-3/h4H,1H2,2-3H3,(H2,7,8)/b9-4-
InChIKeyVCWPQUPURZGJIR-WTKPLQERSA-N
MW125.17 g/mol
LogP0.58
Rot. Bonds1

About (1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine

(1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine (PubChem CID 144628674) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine.

Molecular Properties

Compound Name(1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine
PubChem CID144628674
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine
SMILESC=C(C)/C=N\C(N)=N\C
InChIInChI=1S/C6H11N3/c1-5(2)4-9-6(7)8-3/h4H,1H2,2-3H3,(H2,7,8)/b9-4-
InChIKeyVCWPQUPURZGJIR-WTKPLQERSA-N
XLogP0.58
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.58
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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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine?
The IUPAC name of (1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine (CID 144628674) is (1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine.
What is the SMILES notation for (1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine?
The canonical SMILES for (1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine is C=C(C)/C=N\C(N)=N\C.
What is the InChIKey of (1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine?
The InChIKey is VCWPQUPURZGJIR-WTKPLQERSA-N. The full InChI is InChI=1S/C6H11N3/c1-5(2)4-9-6(7)8-3/h4H,1H2,2-3H3,(H2,7,8)/b9-4-.
What are the key properties of (1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine?
(1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine has a molecular weight of 125.17 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-methyl-1-(2-methylprop-2-enylidene)guanidine is sourced from PubChem (CID 144628674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).