4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile

C17H22N4 — CID 79665670

IUPAC4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile
SMILESCCN(CC(C)(C)CN)c1c(C#N)cnc2ccccc12
InChIInChI=1S/C17H22N4/c1-4-21(12-17(2,3)11-19)16-13(9-18)10-20-15-8-6-5-7-14(15)16/h5-8,10H,4,11-12,19H2,1-3H3
InChIKeyKEZOAFWRRCPTHD-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.92
Rot. Bonds5

About 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile

4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile (PubChem CID 79665670) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile
PubChem CID79665670
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile
SMILESCCN(CC(C)(C)CN)c1c(C#N)cnc2ccccc12
InChIInChI=1S/C17H22N4/c1-4-21(12-17(2,3)11-19)16-13(9-18)10-20-15-8-6-5-7-14(15)16/h5-8,10H,4,11-12,19H2,1-3H3
InChIKeyKEZOAFWRRCPTHD-UHFFFAOYSA-N
XLogP2.92
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile?
The IUPAC name of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile (CID 79665670) is 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile?
The canonical SMILES for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile is CCN(CC(C)(C)CN)c1c(C#N)cnc2ccccc12.
What is the InChIKey of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile?
The InChIKey is KEZOAFWRRCPTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-21(12-17(2,3)11-19)16-13(9-18)10-20-15-8-6-5-7-14(15)16/h5-8,10H,4,11-12,19H2,1-3H3.
What are the key properties of 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile?
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile has a molecular weight of 282.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2,2-dimethylpropyl)-ethylamino]quinoline-3-carbonitrile is sourced from PubChem (CID 79665670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).