1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine

C11H18N4 — CID 121284507

IUPAC1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine
SMILESCN(C)C(=NC=C1C=CC=CN1)N(C)C
InChIInChI=1S/C11H18N4/c1-14(2)11(15(3)4)13-9-10-7-5-6-8-12-10/h5-9,12H,1-4H3
InChIKeyMJKRQMNNTVUBSD-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.98
Rot. Bonds1

About 1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine

1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine (PubChem CID 121284507) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine
PubChem CID121284507
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine
SMILESCN(C)C(=NC=C1C=CC=CN1)N(C)C
InChIInChI=1S/C11H18N4/c1-14(2)11(15(3)4)13-9-10-7-5-6-8-12-10/h5-9,12H,1-4H3
InChIKeyMJKRQMNNTVUBSD-UHFFFAOYSA-N
XLogP0.98
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1H-pyridin-2-ylidenemethyl)guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine (CID 121284507) is 1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine is CN(C)C(=NC=C1C=CC=CN1)N(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine?
The InChIKey is MJKRQMNNTVUBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-14(2)11(15(3)4)13-9-10-7-5-6-8-12-10/h5-9,12H,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine?
1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine has a molecular weight of 206.29 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine is sourced from PubChem (CID 121284507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).