4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile

C17H20N4 — CID 79359952

IUPAC4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
SMILESCC1(C)C(CNc2c(C#N)nnc3ccccc23)C1(C)C
InChIInChI=1S/C17H20N4/c1-16(2)14(17(16,3)4)10-19-15-11-7-5-6-8-12(11)20-21-13(15)9-18/h5-8,14H,10H2,1-4H3,(H,19,20)
InChIKeyIHEVETLHGZPDNA-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.60
Rot. Bonds3

About 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile

4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile (PubChem CID 79359952) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
PubChem CID79359952
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
SMILESCC1(C)C(CNc2c(C#N)nnc3ccccc23)C1(C)C
InChIInChI=1S/C17H20N4/c1-16(2)14(17(16,3)4)10-19-15-11-7-5-6-8-12(11)20-21-13(15)9-18/h5-8,14H,10H2,1-4H3,(H,19,20)
InChIKeyIHEVETLHGZPDNA-UHFFFAOYSA-N
XLogP3.60
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile (CID 79359952) is 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile is CC1(C)C(CNc2c(C#N)nnc3ccccc23)C1(C)C.
What is the InChIKey of 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile?
The InChIKey is IHEVETLHGZPDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-16(2)14(17(16,3)4)10-19-15-11-7-5-6-8-12(11)20-21-13(15)9-18/h5-8,14H,10H2,1-4H3,(H,19,20).
What are the key properties of 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile?
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile has a molecular weight of 280.37 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile is sourced from PubChem (CID 79359952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).