3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile

C15H18N4 — CID 54988234

IUPAC3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ccc2cc(N)ccc2n1
InChIInChI=1S/C15H18N4/c1-3-19(10-11(2)9-16)15-7-4-12-8-13(17)5-6-14(12)18-15/h4-8,11H,3,10,17H2,1-2H3
InChIKeyAHQJRFHGJODGCE-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.80
Rot. Bonds4

About 3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile

3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile (PubChem CID 54988234) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile
PubChem CID54988234
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)c1ccc2cc(N)ccc2n1
InChIInChI=1S/C15H18N4/c1-3-19(10-11(2)9-16)15-7-4-12-8-13(17)5-6-14(12)18-15/h4-8,11H,3,10,17H2,1-2H3
InChIKeyAHQJRFHGJODGCE-UHFFFAOYSA-N
XLogP2.80
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile (CID 54988234) is 3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile is CCN(CC(C)C#N)c1ccc2cc(N)ccc2n1.
What is the InChIKey of 3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile?
The InChIKey is AHQJRFHGJODGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-19(10-11(2)9-16)15-7-4-12-8-13(17)5-6-14(12)18-15/h4-8,11H,3,10,17H2,1-2H3.
What are the key properties of 3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile?
3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile has a molecular weight of 254.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminoquinolin-2-yl)-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 54988234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).