2-tert-butyl-1,1,3,3-tetramethylguanidine

C9H21N3 — CID 3571581

IUPAC2-tert-butyl-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC(C)(C)C)N(C)C
InChIInChI=1S/C9H21N3/c1-9(2,3)10-8(11(4)5)12(6)7/h1-7H3
InChIKeyYQHJFPFNGVDEDT-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.26
Rot. Bonds

About 2-tert-butyl-1,1,3,3-tetramethylguanidine

2-tert-butyl-1,1,3,3-tetramethylguanidine (PubChem CID 3571581) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-tert-butyl-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-tert-butyl-1,1,3,3-tetramethylguanidine
PubChem CID3571581
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-tert-butyl-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NC(C)(C)C)N(C)C
InChIInChI=1S/C9H21N3/c1-9(2,3)10-8(11(4)5)12(6)7/h1-7H3
InChIKeyYQHJFPFNGVDEDT-UHFFFAOYSA-N
XLogP1.26
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.26
H-Bond Donors ≤ 50
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-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-tert-butyl-1,1,3,3-tetramethylguanidine (CID 3571581) is 2-tert-butyl-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-tert-butyl-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-tert-butyl-1,1,3,3-tetramethylguanidine is CN(C)C(=NC(C)(C)C)N(C)C.
What is the InChIKey of 2-tert-butyl-1,1,3,3-tetramethylguanidine?
The InChIKey is YQHJFPFNGVDEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-9(2,3)10-8(11(4)5)12(6)7/h1-7H3.
What are the key properties of 2-tert-butyl-1,1,3,3-tetramethylguanidine?
2-tert-butyl-1,1,3,3-tetramethylguanidine has a molecular weight of 171.29 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 3571581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).