2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile

C13H11N5 — CID 43383019

IUPAC2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile
SMILESN#CCN(CC#N)c1ccc2cc(N)ccc2n1
InChIInChI=1S/C13H11N5/c14-5-7-18(8-6-15)13-4-1-10-9-11(16)2-3-12(10)17-13/h1-4,9H,7-8,16H2
InChIKeyFFAPAUTZXDENFJ-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.67
Rot. Bonds3

About 2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile

2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile (PubChem CID 43383019) has the molecular formula C13H11N5 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile
PubChem CID43383019
Molecular FormulaC13H11N5
Molecular Weight237.27 g/mol
Exact Mass237.10
IUPAC Name2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile
SMILESN#CCN(CC#N)c1ccc2cc(N)ccc2n1
InChIInChI=1S/C13H11N5/c14-5-7-18(8-6-15)13-4-1-10-9-11(16)2-3-12(10)17-13/h1-4,9H,7-8,16H2
InChIKeyFFAPAUTZXDENFJ-UHFFFAOYSA-N
XLogP1.67
TPSA89.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 54988234
2-N-butyl-2-N-ethylquinoline-2,6-diamine
CID 43383017
4-[(6-aminoquinolin-2-yl)-methylamino]benzonitrile
CID 62981426
2-[(6-amino-1,3-benzothiazol-2-yl)-(cyanomethyl)amino]acetonitrile
CID 63231234
quinoline-2,6-diamine
CID 22018948
2-[(6-aminoquinolin-2-yl)-methylamino]-N,N-dimethylacetamide
CID 43451019
2-N-methyl-2-N-(2-pyridin-2-ylethyl)quinoline-2,6-diamine
CID 43450816
2-N-cycloheptyl-2-N-methylquinoline-2,6-diamine
CID 43613779
(6-aminoquinolin-2-yl)methanol
CID 22763701
2-N-(2,4-dimethylphenyl)-2-N-methylquinoline-2,6-diamine
CID 62003185
2-[[5-amino-6-(cyclopropylmethoxy)-2-pyridinyl]-(cyanomethyl)amino]acetonitrile
CID 43260776
2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 115915164

Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile?
The IUPAC name of 2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile (CID 43383019) is 2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile.
What is the SMILES notation for 2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile?
The canonical SMILES for 2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile is N#CCN(CC#N)c1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile?
The InChIKey is FFAPAUTZXDENFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5/c14-5-7-18(8-6-15)13-4-1-10-9-11(16)2-3-12(10)17-13/h1-4,9H,7-8,16H2.
What are the key properties of 2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile?
2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile has a molecular weight of 237.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminoquinolin-2-yl)-(cyanomethyl)amino]acetonitrile is sourced from PubChem (CID 43383019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).