1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine

C14H18N6 — CID 163643434

IUPAC1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCN1C(C)=CC(=C(C#N)C#N)C=C1C
InChIInChI=1S/C14H18N6/c1-10-6-12(13(8-15)9-16)7-11(2)20(10)5-4-19-14(17)18-3/h6-7H,4-5H2,1-3H3,(H3,17,18,19)
InChIKeyIGGAAAYBOSLQOS-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.99
Rot. Bonds3

About 1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine

1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine (PubChem CID 163643434) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine
PubChem CID163643434
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine
SMILESC/N=C(\N)NCCN1C(C)=CC(=C(C#N)C#N)C=C1C
InChIInChI=1S/C14H18N6/c1-10-6-12(13(8-15)9-16)7-11(2)20(10)5-4-19-14(17)18-3/h6-7H,4-5H2,1-3H3,(H3,17,18,19)
InChIKeyIGGAAAYBOSLQOS-UHFFFAOYSA-N
XLogP0.99
TPSA101.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-(1-Cyanoethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]guanidine
CID 68343190
2-[2-[4-(Dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]guanidine
CID 88968721
3-[(2E,4Z)-6-cyanohepta-2,4,6-trien-3-yl]-2-ethenyl-1,1-dimethylguanidine
CID 134512369
Diaminomethylidene-[2-[4-(diisocyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]azanium
CID 135992778
2-[4-(Dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl-dimethylazanium
CID 2308345

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine?
The IUPAC name of 1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine (CID 163643434) is 1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine?
The canonical SMILES for 1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine is C/N=C(\N)NCCN1C(C)=CC(=C(C#N)C#N)C=C1C.
What is the InChIKey of 1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine?
The InChIKey is IGGAAAYBOSLQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-10-6-12(13(8-15)9-16)7-11(2)20(10)5-4-19-14(17)18-3/h6-7H,4-5H2,1-3H3,(H3,17,18,19).
What are the key properties of 1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine?
1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine has a molecular weight of 270.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(dicyanomethylidene)-2,6-dimethyl-1-pyridinyl]ethyl]-2-methylguanidine is sourced from PubChem (CID 163643434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).