1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine

C13H22N4 — CID 122098439

IUPAC1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine
SMILESCc1ccc(CCN=C(N(C)C)N(C)C)nc1
InChIInChI=1S/C13H22N4/c1-11-6-7-12(15-10-11)8-9-14-13(16(2)3)17(4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyWEUJVGURMPVBLT-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.41
Rot. Bonds3

About 1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine

1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine (PubChem CID 122098439) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine
PubChem CID122098439
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine
SMILESCc1ccc(CCN=C(N(C)C)N(C)C)nc1
InChIInChI=1S/C13H22N4/c1-11-6-7-12(15-10-11)8-9-14-13(16(2)3)17(4)5/h6-7,10H,8-9H2,1-5H3
InChIKeyWEUJVGURMPVBLT-UHFFFAOYSA-N
XLogP1.41
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
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-[2-(5-methyl-2-pyridinyl)ethyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine (CID 122098439) is 1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine is Cc1ccc(CCN=C(N(C)C)N(C)C)nc1.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine?
The InChIKey is WEUJVGURMPVBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11-6-7-12(15-10-11)8-9-14-13(16(2)3)17(4)5/h6-7,10H,8-9H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine?
1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine has a molecular weight of 234.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[2-(5-methyl-2-pyridinyl)ethyl]guanidine is sourced from PubChem (CID 122098439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).