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

C15H22N4 — CID 81052564

IUPAC4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CCCCC2CN)c(C#N)c(C)n1
InChIInChI=1S/C15H22N4/c1-10-7-15(13(9-17)11(2)18-10)19-14-6-4-3-5-12(14)8-16/h7,12,14H,3-6,8,16H2,1-2H3,(H,18,19)
InChIKeyAPQWEDVYQFVDBU-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.50
Rot. Bonds3

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

4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81052564) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81052564
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CCCCC2CN)c(C#N)c(C)n1
InChIInChI=1S/C15H22N4/c1-10-7-15(13(9-17)11(2)18-10)19-14-6-4-3-5-12(14)8-16/h7,12,14H,3-6,8,16H2,1-2H3,(H,18,19)
InChIKeyAPQWEDVYQFVDBU-UHFFFAOYSA-N
XLogP2.50
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-aminocycloheptyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051795
4-[(2-aminocyclopropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81051408
4-(cyclobutylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060746
2,6-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]pyridine-3-carbonitrile
CID 81061136
2,6-dimethyl-4-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-3-carbonitrile
CID 81060660
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
2-[[(1R,2R)-2-aminocyclohexyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 93453724
4-[[2-(aminomethyl)cyclohexyl]amino]-2-methylbenzonitrile
CID 81278602
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
4-[[2-(aminomethyl)cyclopentyl]amino]-3-methoxybenzonitrile
CID 113460277
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile (CID 81052564) is 4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NC2CCCCC2CN)c(C#N)c(C)n1.
What is the InChIKey of 4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is APQWEDVYQFVDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-10-7-15(13(9-17)11(2)18-10)19-14-6-4-3-5-12(14)8-16/h7,12,14H,3-6,8,16H2,1-2H3,(H,18,19).
What are the key properties of 4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile?
4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 258.37 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(aminomethyl)cyclohexyl]amino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81052564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).