1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine

C9H21N3 — CID 59021791

IUPAC1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine
SMILESC/N=C(\NC)N(C)CC(C)(C)C
InChIInChI=1S/C9H21N3/c1-9(2,3)7-12(6)8(10-4)11-5/h7H2,1-6H3,(H,10,11)
InChIKeyAKOHJQFGVKQMMF-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.17
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine

1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine (PubChem CID 59021791) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine
PubChem CID59021791
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine
SMILESC/N=C(\NC)N(C)CC(C)(C)C
InChIInChI=1S/C9H21N3/c1-9(2,3)7-12(6)8(10-4)11-5/h7H2,1-6H3,(H,10,11)
InChIKeyAKOHJQFGVKQMMF-UHFFFAOYSA-N
XLogP1.17
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.17
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'}

Analyze 1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine?
The IUPAC name of 1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine (CID 59021791) is 1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine is C/N=C(\NC)N(C)CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine?
The InChIKey is AKOHJQFGVKQMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(2,3)7-12(6)8(10-4)11-5/h7H2,1-6H3,(H,10,11).
What are the key properties of 1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine?
1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine has a molecular weight of 171.29 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-1,2,3-trimethylguanidine is sourced from PubChem (CID 59021791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).