(E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine

C15H17BrN2 — CID 112618757

IUPAC(E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NC/C=C/c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H17BrN2/c1-11(2)17-9-3-5-12-7-8-14(16)13-6-4-10-18-15(12)13/h3-8,10-11,17H,9H2,1-2H3/b5-3+
InChIKeyKILYYSADEOTSCX-HWKANZROSA-N
MW305.22 g/mol
LogP4.01
Rot. Bonds4

About (E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine

(E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 112618757) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is (E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID112618757
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name(E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine
SMILESCC(C)NC/C=C/c1ccc(Br)c2cccnc12
InChIInChI=1S/C15H17BrN2/c1-11(2)17-9-3-5-12-7-8-14(16)13-6-4-10-18-15(12)13/h3-8,10-11,17H,9H2,1-2H3/b5-3+
InChIKeyKILYYSADEOTSCX-HWKANZROSA-N
XLogP4.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E)-2-[(5-bromoquinolin-8-yl)methylidene]-N,3-dimethylbutan-1-amine
CID 112618749
(E)-4-(5-bromoquinolin-8-yl)but-3-en-2-one
CID 112618552
methyl (E)-3-(5-bromoquinolin-8-yl)prop-2-enoate
CID 112618007
(E)-4-(5-bromoquinolin-8-yl)-3-methyl-N-propylbut-3-en-2-amine
CID 103093776
(E)-3-(5-bromoquinolin-8-yl)-N,2-dimethylprop-2-en-1-amine
CID 112618767
N-[2-(5,7-dibromoquinolin-8-yl)oxyethyl]propan-2-amine
CID 55093115
5-bromo-8-[(Z)-2-(chloromethyl)but-1-enyl]quinoline
CID 112618724
(E)-3-(5-chloroquinolin-8-yl)-N-(2-methoxyethyl)prop-2-en-1-amine
CID 112618766
(E)-N-propan-2-yl-4-quinolin-5-ylbut-3-en-1-amine
CID 81221768
(2S)-2-[(5-bromoquinolin-8-yl)methylamino]-3-methylbutanoic acid
CID 120510503
N-[(5-bromoquinolin-8-yl)methyl]-1-phenylethanamine
CID 115958942
2-N-[(5-bromoquinolin-8-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 112617830

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of (E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine (CID 112618757) is (E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine is CC(C)NC/C=C/c1ccc(Br)c2cccnc12.
What is the InChIKey of (E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is KILYYSADEOTSCX-HWKANZROSA-N. The full InChI is InChI=1S/C15H17BrN2/c1-11(2)17-9-3-5-12-7-8-14(16)13-6-4-10-18-15(12)13/h3-8,10-11,17H,9H2,1-2H3/b5-3+.
What are the key properties of (E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine?
(E)-3-(5-bromoquinolin-8-yl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 305.22 g/mol, XLogP of 4.01, 4 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-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 112618757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).