4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile

C14H19N3 — CID 115150222

IUPAC4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile
SMILESCN(Cc1cccnc1)C1CCC(C#N)CC1
InChIInChI=1S/C14H19N3/c1-17(11-13-3-2-8-16-10-13)14-6-4-12(9-15)5-7-14/h2-3,8,10,12,14H,4-7,11H2,1H3
InChIKeyVSLRIJKRXYEZSG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.60
Rot. Bonds3

About 4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile

4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile (PubChem CID 115150222) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile
PubChem CID115150222
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile
SMILESCN(Cc1cccnc1)C1CCC(C#N)CC1
InChIInChI=1S/C14H19N3/c1-17(11-13-3-2-8-16-10-13)14-6-4-12(9-15)5-7-14/h2-3,8,10,12,14H,4-7,11H2,1H3
InChIKeyVSLRIJKRXYEZSG-UHFFFAOYSA-N
XLogP2.60
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864
trans-(1R,3R)-N-methyl-3-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclopentan-1-amine
CID 99106803
3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114762788
N-methyl-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134793387
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
CID 174532487
CID 174532487
4-[methyl(pyridin-3-ylmethyl)amino]pyrrolidin-3-ol
CID 63701594
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
2-[3-[methyl(pyridin-3-ylmethyl)amino]cyclopentyl]-2,2-diphenylacetamide
CID 70303251
4-[2-(3-bromophenyl)ethyl-methylamino]cyclohexane-1-carbonitrile
CID 115150304
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile (CID 115150222) is 4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile is CN(Cc1cccnc1)C1CCC(C#N)CC1.
What is the InChIKey of 4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is VSLRIJKRXYEZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-17(11-13-3-2-8-16-10-13)14-6-4-12(9-15)5-7-14/h2-3,8,10,12,14H,4-7,11H2,1H3.
What are the key properties of 4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile?
4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-3-ylmethyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 115150222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).