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

C11H14N4 — CID 67961871

IUPAC(4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)[C@@H](C)C(C#N)=C(CCN)N1
InChIInChI=1S/C11H14N4/c1-7-9(5-13)8(2)15-11(3-4-12)10(7)6-14/h7,15H,3-4,12H2,1-2H3/t7-/m1/s1
InChIKeyMKBGTLMEWRRAOO-SSDOTTSWSA-N
MW202.26 g/mol
LogP1.15
Rot. Bonds2

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

(4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (PubChem CID 67961871) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is (4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name(4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
PubChem CID67961871
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name(4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
SMILESCC1=C(C#N)[C@@H](C)C(C#N)=C(CCN)N1
InChIInChI=1S/C11H14N4/c1-7-9(5-13)8(2)15-11(3-4-12)10(7)6-14/h7,15H,3-4,12H2,1-2H3/t7-/m1/s1
InChIKeyMKBGTLMEWRRAOO-SSDOTTSWSA-N
XLogP1.15
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-Trimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 594122
(4R)-6-(2-aminoethyl)-5-isocyano-2,4-dimethyl-1,4-dihydropyridine-3-carbonitrile
CID 59763292
(4R)-2-tert-butyl-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67961863
(4R)-2,4-dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 67961864
4-Ethyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 68131559
2,4-Dimethyl-6-piperidin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 77439162
2-(2-Aminoethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarbonitrile
CID 89180306
6-Butan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 12868369
6-Pentan-3-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 12868370
6-Propan-2-yl-1,2,3,4-tetrahydropyridine-5-carbonitrile
CID 45095796

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The IUPAC name of (4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CID 67961871) is (4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile.
What is the SMILES notation for (4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The canonical SMILES for (4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is CC1=C(C#N)[C@@H](C)C(C#N)=C(CCN)N1.
What is the InChIKey of (4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The InChIKey is MKBGTLMEWRRAOO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N4/c1-7-9(5-13)8(2)15-11(3-4-12)10(7)6-14/h7,15H,3-4,12H2,1-2H3/t7-/m1/s1.
What are the key properties of (4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
(4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-aminoethyl)-4,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 67961871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).