1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide

C8H18IN3 — CID 130701598

IUPAC1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)CN/C(=N/C)N(C)C.I
InChIInChI=1S/C8H17N3.HI/c1-7(2)6-10-8(9-3)11(4)5;/h1,6H2,2-5H3,(H,9,10);1H
InChIKeyYSPYQNKNFNGHLE-UHFFFAOYSA-N
MW283.16 g/mol
LogP1.32
Rot. Bonds2

About 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide

1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 130701598) has the molecular formula C8H18IN3 and a molecular weight of 283.16 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID130701598
Molecular FormulaC8H18IN3
Molecular Weight283.16 g/mol
Exact Mass283.05
IUPAC Name1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)CN/C(=N/C)N(C)C.I
InChIInChI=1S/C8H17N3.HI/c1-7(2)6-10-8(9-3)11(4)5;/h1,6H2,2-5H3,(H,9,10);1H
InChIKeyYSPYQNKNFNGHLE-UHFFFAOYSA-N
XLogP1.32
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 51.32
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3-Tris(3-methylbut-2-enyl)guanidine
CID 14781546
1-Butyl-3-(2-fluoroprop-2-enyl)-2-methyl-1-propylguanidine
CID 166131719
1,2,3-Tris(prop-2-enyl)-1-propylguanidine
CID 53891653
1-(4-Aminobutyl)-2-methyl-3-(3-methylbut-2-enyl)guanidine
CID 87780050
1-Cyano-2-methyl-3-(2-methylprop-2-enyl)guanidine
CID 89887513
ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide
CID 142904067
Bis[ethyl(2-methylprop-2-enyl)amino]methylidene-dimethylazanium
CID 102055303
2-(3-Methylbut-2-enyl)-1-(2-methylpropyl)guanidine
CID 103517450
2-(3-Methylbut-2-enyl)-1-propylguanidine
CID 103517455
1-[3-(Dimethylamino)-2,2-dimethylpropyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 110981506
2-[3-(Dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110981508
1-[2-(Diethylamino)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111022726

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 130701598) is 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)CN/C(=N/C)N(C)C.I.
What is the InChIKey of 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is YSPYQNKNFNGHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.HI/c1-7(2)6-10-8(9-3)11(4)5;/h1,6H2,2-5H3,(H,9,10);1H.
What are the key properties of 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide?
1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 283.16 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 130701598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).