1,1,3,3-tetramethyl-2-phenylguanidine

C11H17N3 — CID 525262

IUPAC1,1,3,3-tetramethyl-2-phenylguanidine
SMILESCN(C)C(=Nc1ccccc1)N(C)C
InChIInChI=1S/C11H17N3/c1-13(2)11(14(3)4)12-10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyKVAONWQEUDYKTG-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.80
Rot. Bonds1

About 1,1,3,3-tetramethyl-2-phenylguanidine

1,1,3,3-tetramethyl-2-phenylguanidine (PubChem CID 525262) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-phenylguanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-phenylguanidine
PubChem CID525262
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1,1,3,3-tetramethyl-2-phenylguanidine
SMILESCN(C)C(=Nc1ccccc1)N(C)C
InChIInChI=1S/C11H17N3/c1-13(2)11(14(3)4)12-10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKeyKVAONWQEUDYKTG-UHFFFAOYSA-N
XLogP1.80
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.80
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 1,1,3,3-tetramethyl-2-phenylguanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-phenylguanidine (CID 525262) is 1,1,3,3-tetramethyl-2-phenylguanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-phenylguanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-phenylguanidine is CN(C)C(=Nc1ccccc1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-phenylguanidine?
The InChIKey is KVAONWQEUDYKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-13(2)11(14(3)4)12-10-8-6-5-7-9-10/h5-9H,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-phenylguanidine?
1,1,3,3-tetramethyl-2-phenylguanidine has a molecular weight of 191.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-phenylguanidine is sourced from PubChem (CID 525262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).