(2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine

C16H19BrN2 — CID 112618749

IUPAC(2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCNC/C(=C/c1ccc(Br)c2cccnc12)C(C)C
InChIInChI=1S/C16H19BrN2/c1-11(2)13(10-18-3)9-12-6-7-15(17)14-5-4-8-19-16(12)14/h4-9,11,18H,10H2,1-3H3/b13-9-
InChIKeyVSGHDFPEFWWSJI-LCYFTJDESA-N
MW319.25 g/mol
LogP4.26
Rot. Bonds4

About (2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine

(2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine (PubChem CID 112618749) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is (2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name(2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine
PubChem CID112618749
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name(2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine
SMILESCNC/C(=C/c1ccc(Br)c2cccnc12)C(C)C
InChIInChI=1S/C16H19BrN2/c1-11(2)13(10-18-3)9-12-6-7-15(17)14-5-4-8-19-16(12)14/h4-9,11,18H,10H2,1-3H3/b13-9-
InChIKeyVSGHDFPEFWWSJI-LCYFTJDESA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine?
The IUPAC name of (2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine (CID 112618749) is (2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine.
What is the SMILES notation for (2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine?
The canonical SMILES for (2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine is CNC/C(=C/c1ccc(Br)c2cccnc12)C(C)C.
What is the InChIKey of (2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine?
The InChIKey is VSGHDFPEFWWSJI-LCYFTJDESA-N. The full InChI is InChI=1S/C16H19BrN2/c1-11(2)13(10-18-3)9-12-6-7-15(17)14-5-4-8-19-16(12)14/h4-9,11,18H,10H2,1-3H3/b13-9-.
What are the key properties of (2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine?
(2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine has a molecular weight of 319.25 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 112618749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).