2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile

C15H16N4 — CID 83128126

IUPAC2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile
SMILESCC(N)c1ccc(N(C)c2ccccc2C#N)cn1
InChIInChI=1S/C15H16N4/c1-11(17)14-8-7-13(10-18-14)19(2)15-6-4-3-5-12(15)9-16/h3-8,10-11H,17H2,1-2H3
InChIKeyRCXFGADIRGTOOA-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.74
Rot. Bonds3

About 2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile

2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile (PubChem CID 83128126) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile
PubChem CID83128126
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile
SMILESCC(N)c1ccc(N(C)c2ccccc2C#N)cn1
InChIInChI=1S/C15H16N4/c1-11(17)14-8-7-13(10-18-14)19(2)15-6-4-3-5-12(15)9-16/h3-8,10-11H,17H2,1-2H3
InChIKeyRCXFGADIRGTOOA-UHFFFAOYSA-N
XLogP2.74
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[6-[1-(methylamino)ethyl]-3-pyridinyl]amino]benzonitrile
CID 83128047
6-[(1S)-1-aminoethyl]-N-methyl-N-phenylpyridin-3-amine
CID 83121870
6-[(1R)-1-aminoethyl]-N,N-dimethylpyridin-3-amine
CID 83122052
6-[(1R)-1-aminoethyl]-N-(2,4-dimethylphenyl)-N-methylpyridin-3-amine
CID 83123110
6-[(1R)-1-aminoethyl]-N-(3-fluorophenyl)-N-methylpyridin-3-amine
CID 83122861
6-(1-aminoethyl)-N-(3-methoxyphenyl)-N-methylpyridin-3-amine
CID 83123026
6-(1-aminoethyl)-N-cyclopropyl-N-methylpyridin-3-amine
CID 83122472
6-[(1R)-1-aminoethyl]-N-ethyl-N-phenylpyridin-3-amine
CID 83122129
6-[(1R)-1-aminoethyl]-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridin-3-amine
CID 83122536
6-[(1S)-1-aminoethyl]-N-[1-(2-fluorophenyl)ethyl]-N-methylpyridin-3-amine
CID 83122869
4-[[6-[(1S)-1-aminopropyl]-3-pyridinyl]-methylamino]benzonitrile
CID 103937312
6-(1-aminoethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 83123075

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile?
The IUPAC name of 2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile (CID 83128126) is 2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile.
What is the SMILES notation for 2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile?
The canonical SMILES for 2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile is CC(N)c1ccc(N(C)c2ccccc2C#N)cn1.
What is the InChIKey of 2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile?
The InChIKey is RCXFGADIRGTOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11(17)14-8-7-13(10-18-14)19(2)15-6-4-3-5-12(15)9-16/h3-8,10-11H,17H2,1-2H3.
What are the key properties of 2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile?
2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile has a molecular weight of 252.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1-aminoethyl)-3-pyridinyl]-methylamino]benzonitrile is sourced from PubChem (CID 83128126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).