(E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine

C14H15BrN2 — CID 112618767

IUPAC(E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine
SMILESCNC/C(C)=C/c1ccc(Br)c2cccnc12
InChIInChI=1S/C14H15BrN2/c1-10(9-16-2)8-11-5-6-13(15)12-4-3-7-17-14(11)12/h3-8,16H,9H2,1-2H3/b10-8+
InChIKeyJWVOJLQYMCVVKL-CSKARUKUSA-N
MW291.19 g/mol
LogP3.62
Rot. Bonds3

About (E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine

(E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 112618767) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is (E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine
PubChem CID112618767
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name(E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine
SMILESCNC/C(C)=C/c1ccc(Br)c2cccnc12
InChIInChI=1S/C14H15BrN2/c1-10(9-16-2)8-11-5-6-13(15)12-4-3-7-17-14(11)12/h3-8,16H,9H2,1-2H3/b10-8+
InChIKeyJWVOJLQYMCVVKL-CSKARUKUSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of (E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine (CID 112618767) is (E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine is CNC/C(C)=C/c1ccc(Br)c2cccnc12.
What is the InChIKey of (E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is JWVOJLQYMCVVKL-CSKARUKUSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10(9-16-2)8-11-5-6-13(15)12-4-3-7-17-14(11)12/h3-8,16H,9H2,1-2H3/b10-8+.
What are the key properties of (E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine?
(E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 291.19 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 112618767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).