2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile

C10H12N4 — CID 89180306

IUPAC2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)CC(C#N)=C(CCN)N1
InChIInChI=1S/C10H12N4/c1-7-8(5-12)4-9(6-13)10(14-7)2-3-11/h14H,2-4,11H2,1H3
InChIKeyPSOJTNWTAXZTLC-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.90
Rot. Bonds2

About 2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile

2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 89180306) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID89180306
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)CC(C#N)=C(CCN)N1
InChIInChI=1S/C10H12N4/c1-7-8(5-12)4-9(6-13)10(14-7)2-3-11/h14H,2-4,11H2,1H3
InChIKeyPSOJTNWTAXZTLC-UHFFFAOYSA-N
XLogP0.90
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 594121
2-[1-(Ethylamino)propylidene]propanedinitrile
CID 55299027
2-(Propan-2-ylamino)prop-1-ene-1,1,3-tricarbonitrile
CID 57863326
(4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile
CID 59763292
(4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67961871
2-(Ethylamino)prop-1-ene-1,1,3-tricarbonitrile
CID 89146936
Potassium;(5-cyano-1,2,3,6-tetrahydropyridin-4-yl)azanide;ethane
CID 142309977
2-Tert-butyl-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 143690920
(E)-2-(propan-2-ylamino)-3-propylbut-2-enedinitrile
CID 12558805
6-Propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 45095796
6-Methyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 57326033
6-Butyl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 85545845

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 89180306) is 2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)CC(C#N)=C(CCN)N1.
What is the InChIKey of 2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is PSOJTNWTAXZTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7-8(5-12)4-9(6-13)10(14-7)2-3-11/h14H,2-4,11H2,1H3.
What are the key properties of 2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile?
2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 188.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 89180306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).