2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine

C11H25N3 — CID 62363686

IUPAC2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine
SMILESCN(CC(C)(C)C)/C(N)=N/C(C)(C)C
InChIInChI=1S/C11H25N3/c1-10(2,3)8-14(7)9(12)13-11(4,5)6/h8H2,1-7H3,(H2,12,13)
InChIKeyOHXOQEFXBCWKFX-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.08
Rot. Bonds1

About 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine

2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine (PubChem CID 62363686) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine.

Molecular Properties

Compound Name2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine
PubChem CID62363686
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine
SMILESCN(CC(C)(C)C)/C(N)=N/C(C)(C)C
InChIInChI=1S/C11H25N3/c1-10(2,3)8-14(7)9(12)13-11(4,5)6/h8H2,1-7H3,(H2,12,13)
InChIKeyOHXOQEFXBCWKFX-UHFFFAOYSA-N
XLogP2.08
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.08
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 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine?
The IUPAC name of 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine (CID 62363686) is 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine.
What is the SMILES notation for 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine?
The canonical SMILES for 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine is CN(CC(C)(C)C)/C(N)=N/C(C)(C)C.
What is the InChIKey of 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine?
The InChIKey is OHXOQEFXBCWKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(2,3)8-14(7)9(12)13-11(4,5)6/h8H2,1-7H3,(H2,12,13).
What are the key properties of 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine?
2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine has a molecular weight of 199.34 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2,2-dimethylpropyl)-1-methylguanidine is sourced from PubChem (CID 62363686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).