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

C10H23N3 — CID 59567122

IUPAC1-tert-butyl-2-(2,2-dimethylpropyl)guanidine
SMILESCC(C)(C)C/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H23N3/c1-9(2,3)7-12-8(11)13-10(4,5)6/h7H2,1-6H3,(H3,11,12,13)
InChIKeyYOORJGHJUNZLSL-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.74
Rot. Bonds1

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

1-tert-butyl-2-(2,2-dimethylpropyl)guanidine (PubChem CID 59567122) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-tert-butyl-2-(2,2-dimethylpropyl)guanidine.

Molecular Properties

Compound Name1-tert-butyl-2-(2,2-dimethylpropyl)guanidine
PubChem CID59567122
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name1-tert-butyl-2-(2,2-dimethylpropyl)guanidine
SMILESCC(C)(C)C/N=C(\N)NC(C)(C)C
InChIInChI=1S/C10H23N3/c1-9(2,3)7-12-8(11)13-10(4,5)6/h7H2,1-6H3,(H3,11,12,13)
InChIKeyYOORJGHJUNZLSL-UHFFFAOYSA-N
XLogP1.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.74
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(2,2-dimethylpropyl)guanidine?
The IUPAC name of 1-tert-butyl-2-(2,2-dimethylpropyl)guanidine (CID 59567122) is 1-tert-butyl-2-(2,2-dimethylpropyl)guanidine.
What is the SMILES notation for 1-tert-butyl-2-(2,2-dimethylpropyl)guanidine?
The canonical SMILES for 1-tert-butyl-2-(2,2-dimethylpropyl)guanidine is CC(C)(C)C/N=C(\N)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(2,2-dimethylpropyl)guanidine?
The InChIKey is YOORJGHJUNZLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-9(2,3)7-12-8(11)13-10(4,5)6/h7H2,1-6H3,(H3,11,12,13).
What are the key properties of 1-tert-butyl-2-(2,2-dimethylpropyl)guanidine?
1-tert-butyl-2-(2,2-dimethylpropyl)guanidine has a molecular weight of 185.31 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(2,2-dimethylpropyl)guanidine is sourced from PubChem (CID 59567122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).