1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide

C8H18IN3 — CID 130715003

IUPAC1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)CN/C(=N/C)NCC.I
InChIInChI=1S/C8H17N3.HI/c1-5-10-8(9-4)11-6-7(2)3;/h2,5-6H2,1,3-4H3,(H2,9,10,11);1H
InChIKeyWHUBOEKTQKGKAA-UHFFFAOYSA-N
MW283.16 g/mol
LogP1.37
Rot. Bonds3

About 1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide

1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 130715003) has the molecular formula C8H18IN3 and a molecular weight of 283.16 g/mol. Its IUPAC name is 1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID130715003
Molecular FormulaC8H18IN3
Molecular Weight283.16 g/mol
Exact Mass283.05
IUPAC Name1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)CN/C(=N/C)NCC.I
InChIInChI=1S/C8H17N3.HI/c1-5-10-8(9-4)11-6-7(2)3;/h2,5-6H2,1,3-4H3,(H2,9,10,11);1H
InChIKeyWHUBOEKTQKGKAA-UHFFFAOYSA-N
XLogP1.37
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 130715003) is 1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)CN/C(=N/C)NCC.I.
What is the InChIKey of 1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is WHUBOEKTQKGKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3.HI/c1-5-10-8(9-4)11-6-7(2)3;/h2,5-6H2,1,3-4H3,(H2,9,10,11);1H.
What are the key properties of 1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide?
1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 283.16 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-3-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 130715003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).