2-benzyl-1,1,3,3-tetramethylguanidine

C12H19N3 — CID 525254

IUPAC2-benzyl-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCc1ccccc1)N(C)C
InChIInChI=1S/C12H19N3/c1-14(2)12(15(3)4)13-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyZHCQWGTUGHXYFA-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.67
Rot. Bonds2

About 2-benzyl-1,1,3,3-tetramethylguanidine

2-benzyl-1,1,3,3-tetramethylguanidine (PubChem CID 525254) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-benzyl-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-benzyl-1,1,3,3-tetramethylguanidine
PubChem CID525254
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-benzyl-1,1,3,3-tetramethylguanidine
SMILESCN(C)C(=NCc1ccccc1)N(C)C
InChIInChI=1S/C12H19N3/c1-14(2)12(15(3)4)13-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyZHCQWGTUGHXYFA-UHFFFAOYSA-N
XLogP1.67
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.67
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-benzyl-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-benzyl-1,1,3,3-tetramethylguanidine (CID 525254) is 2-benzyl-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-benzyl-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-benzyl-1,1,3,3-tetramethylguanidine is CN(C)C(=NCc1ccccc1)N(C)C.
What is the InChIKey of 2-benzyl-1,1,3,3-tetramethylguanidine?
The InChIKey is ZHCQWGTUGHXYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-14(2)12(15(3)4)13-10-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of 2-benzyl-1,1,3,3-tetramethylguanidine?
2-benzyl-1,1,3,3-tetramethylguanidine has a molecular weight of 205.31 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 525254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).