3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile

C13H14N4 — CID 103962717

IUPAC3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
SMILESCN(CCC#N)c1c(N)cnc2ccccc12
InChIInChI=1S/C13H14N4/c1-17(8-4-7-14)13-10-5-2-3-6-12(10)16-9-11(13)15/h2-3,5-6,9H,4,8,15H2,1H3
InChIKeyVSQVAHJHSMWNBM-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.17
Rot. Bonds3

About 3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile

3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile (PubChem CID 103962717) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
PubChem CID103962717
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile
SMILESCN(CCC#N)c1c(N)cnc2ccccc12
InChIInChI=1S/C13H14N4/c1-17(8-4-7-14)13-10-5-2-3-6-12(10)16-9-11(13)15/h2-3,5-6,9H,4,8,15H2,1H3
InChIKeyVSQVAHJHSMWNBM-UHFFFAOYSA-N
XLogP2.17
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methoxyethyl)-4-N-methylquinoline-3,4-diamine
CID 113359409
4-N-(2,2-dimethylpropyl)-4-N-methylquinoline-3,4-diamine
CID 113359417
3-[methyl(quinazolin-4-yl)amino]propanenitrile
CID 60726113
4-N-methyl-4-N-(pyridin-4-ylmethyl)quinoline-3,4-diamine
CID 103962883
4-N-methyl-4-N-[(2-methylphenyl)methyl]quinoline-3,4-diamine
CID 103962894
2-[(3-aminoquinolin-4-yl)-methylamino]-N-methylacetamide
CID 103962855
4-[2-(dimethylamino)ethyl-methylamino]quinoline-3-carbonitrile
CID 63693524
3-[cinnolin-4-yl(methyl)amino]propanenitrile
CID 63588442
4-[2-cyanoethyl(methyl)amino]cinnoline-3-carboxylic acid
CID 64624771
3-[(3-aminoquinolin-4-yl)-methylamino]benzonitrile
CID 103963260
4-N-ethyl-4-N-(2-methoxyethyl)quinoline-3,4-diamine
CID 103962995
2-[(3-aminoquinolin-4-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 103963088

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile?
The IUPAC name of 3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile (CID 103962717) is 3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile.
What is the SMILES notation for 3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile?
The canonical SMILES for 3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile is CN(CCC#N)c1c(N)cnc2ccccc12.
What is the InChIKey of 3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile?
The InChIKey is VSQVAHJHSMWNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-17(8-4-7-14)13-10-5-2-3-6-12(10)16-9-11(13)15/h2-3,5-6,9H,4,8,15H2,1H3.
What are the key properties of 3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile?
3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile has a molecular weight of 226.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminoquinolin-4-yl)-methylamino]propanenitrile is sourced from PubChem (CID 103962717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).