1-benzyl-2,3-dimethylguanidine;hydroiodide

C10H16IN3 — CID 6451459

IUPAC1-benzyl-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccccc1.I
InChIInChI=1S/C10H15N3.HI/c1-11-10(12-2)13-8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3,(H2,11,12,13);1H
InChIKeyIBRUMPJVDPHEFZ-UHFFFAOYSA-N
MW305.16 g/mol
LogP1.60
Rot. Bonds2

About 1-benzyl-2,3-dimethylguanidine;hydroiodide

1-benzyl-2,3-dimethylguanidine;hydroiodide (PubChem CID 6451459) has the molecular formula C10H16IN3 and a molecular weight of 305.16 g/mol. Its IUPAC name is 1-benzyl-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-benzyl-2,3-dimethylguanidine;hydroiodide
PubChem CID6451459
Molecular FormulaC10H16IN3
Molecular Weight305.16 g/mol
Exact Mass305.04
IUPAC Name1-benzyl-2,3-dimethylguanidine;hydroiodide
SMILESC/N=C(\NC)NCc1ccccc1.I
InChIInChI=1S/C10H15N3.HI/c1-11-10(12-2)13-8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3,(H2,11,12,13);1H
InChIKeyIBRUMPJVDPHEFZ-UHFFFAOYSA-N
XLogP1.60
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 51.60
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-benzyl-2,3-dimethylguanidine;hydroiodide (CID 6451459) is 1-benzyl-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-benzyl-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-benzyl-2,3-dimethylguanidine;hydroiodide is C/N=C(\NC)NCc1ccccc1.I.
What is the InChIKey of 1-benzyl-2,3-dimethylguanidine;hydroiodide?
The InChIKey is IBRUMPJVDPHEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3.HI/c1-11-10(12-2)13-8-9-6-4-3-5-7-9;/h3-7H,8H2,1-2H3,(H2,11,12,13);1H.
What are the key properties of 1-benzyl-2,3-dimethylguanidine;hydroiodide?
1-benzyl-2,3-dimethylguanidine;hydroiodide has a molecular weight of 305.16 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 6451459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).