3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile

C16H24N4 — CID 114762788

IUPAC3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESCNC1CCC(N(CCC#N)Cc2cccnc2)CC1
InChIInChI=1S/C16H24N4/c1-18-15-5-7-16(8-6-15)20(11-3-9-17)13-14-4-2-10-19-12-14/h2,4,10,12,15-16,18H,3,5-8,11,13H2,1H3
InChIKeyZXEGGARIOMYUJU-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.33
Rot. Bonds6

About 3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile

3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile (PubChem CID 114762788) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
PubChem CID114762788
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
SMILESCNC1CCC(N(CCC#N)Cc2cccnc2)CC1
InChIInChI=1S/C16H24N4/c1-18-15-5-7-16(8-6-15)20(11-3-9-17)13-14-4-2-10-19-12-14/h2,4,10,12,15-16,18H,3,5-8,11,13H2,1H3
InChIKeyZXEGGARIOMYUJU-UHFFFAOYSA-N
XLogP2.33
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile (CID 114762788) is 3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile is CNC1CCC(N(CCC#N)Cc2cccnc2)CC1.
What is the InChIKey of 3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile?
The InChIKey is ZXEGGARIOMYUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-18-15-5-7-16(8-6-15)20(11-3-9-17)13-14-4-2-10-19-12-14/h2,4,10,12,15-16,18H,3,5-8,11,13H2,1H3.
What are the key properties of 3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile?
3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile has a molecular weight of 272.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 114762788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).