4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile

C15H22N4 — CID 81051795

IUPAC4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CCCCCC2N)c(C#N)c(C)n1
InChIInChI=1S/C15H22N4/c1-10-8-15(12(9-16)11(2)18-10)19-14-7-5-3-4-6-13(14)17/h8,13-14H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyLQYMUCPPAPWTRF-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.64
Rot. Bonds2

About 4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile

4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81051795) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81051795
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CCCCCC2N)c(C#N)c(C)n1
InChIInChI=1S/C15H22N4/c1-10-8-15(12(9-16)11(2)18-10)19-14-7-5-3-4-6-13(14)17/h8,13-14H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyLQYMUCPPAPWTRF-UHFFFAOYSA-N
XLogP2.64
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile (CID 81051795) is 4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NC2CCCCCC2N)c(C#N)c(C)n1.
What is the InChIKey of 4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is LQYMUCPPAPWTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10-8-15(12(9-16)11(2)18-10)19-14-7-5-3-4-6-13(14)17/h8,13-14H,3-7,17H2,1-2H3,(H,18,19).
What are the key properties of 4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81051795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).