(E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine

C17H21BrN2 — CID 103093776

IUPAC(E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc(Br)c2cccnc12
InChIInChI=1S/C17H21BrN2/c1-4-9-19-13(3)12(2)11-14-7-8-16(18)15-6-5-10-20-17(14)15/h5-8,10-11,13,19H,4,9H2,1-3H3/b12-11+
InChIKeyWUCKPGCMMUKPIZ-VAWYXSNFSA-N
MW333.27 g/mol
LogP4.79
Rot. Bonds5

About (E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine

(E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine (PubChem CID 103093776) has the molecular formula C17H21BrN2 and a molecular weight of 333.27 g/mol. Its IUPAC name is (E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine
PubChem CID103093776
Molecular FormulaC17H21BrN2
Molecular Weight333.27 g/mol
Exact Mass332.09
IUPAC Name(E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine
SMILESCCCNC(C)/C(C)=C/c1ccc(Br)c2cccnc12
InChIInChI=1S/C17H21BrN2/c1-4-9-19-13(3)12(2)11-14-7-8-16(18)15-6-5-10-20-17(14)15/h5-8,10-11,13,19H,4,9H2,1-3H3/b12-11+
InChIKeyWUCKPGCMMUKPIZ-VAWYXSNFSA-N
XLogP4.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine?
The IUPAC name of (E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine (CID 103093776) is (E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine is CCCNC(C)/C(C)=C/c1ccc(Br)c2cccnc12.
What is the InChIKey of (E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine?
The InChIKey is WUCKPGCMMUKPIZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-4-9-19-13(3)12(2)11-14-7-8-16(18)15-6-5-10-20-17(14)15/h5-8,10-11,13,19H,4,9H2,1-3H3/b12-11+.
What are the key properties of (E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine?
(E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine has a molecular weight of 333.27 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine is sourced from PubChem (CID 103093776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).